![2-[1,2-bis(4-methoxyphenyl)butylamino]-N-[(E)-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]acetamide structure](/static/products/775/77579-62-5.png)
2-[1,2-bis(4-methoxyphenyl)butylamino]-N-[(E)-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]acetamide
TL;DR: 2-[1,2-bis(4-methoxyphenyl)butylamino]-N-[(E)-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]acetamide (CAS 77579-62-5) is a chemical compound with molecular formula C39H49N3O5 and molecular weight 639.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1,2-bis(4-methoxyphenyl)butylamino]-N-[(E)-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]acetamide
Also Known As: 2-[1,2-bis(4-methoxyphenyl)butylamino]-N-[(E)-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]acetamide, 2-{[1,2-Bis(4-methoxyphenyl)butyl]amino}-N'-[(1S,3aS,3bR,5E,9bS,11aS)-1,7-dihydroxy-9,11a-dimethyl-1,2,3,3a,3b,4,9b,10,11,11a-decahydro-5H-cyclopenta[a]phenanthren-5-ylidene]acetohydrazide
| Molecular Formula | C39H49N3O5 |
|---|---|
| Molecular Weight | 639.37 g/mol |
| LogP | 6.73732 |
| Topological Polar Surface Area | 112.41 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 639.36725 |
| Heavy Atoms | 47 |
| Complexity | 1604.0302 |
Chemical Identifiers
| CAS Number | 77579-62-5 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)OC)C(C2=CC=C(C=C2)OC)NCC(=O)N/N=C/3\C[C@@H]4[C@H](CC[C@]5([C@H]4CC[C@@H]5O)C)C6=C3C=C(C=C6C)O |
Product Overview
2-[1,2-bis(4-methoxyphenyl)butylamino]-N-[(E)-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]acetamide (CAS 77579-62-5), with molecular formula C39H49N3O5 and molecular weight 639.37 g/mol. IUPAC: 2-[1,2-bis(4-methoxyphenyl)butylamino]-N-[(E)-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]acetamide.
Chemical Property Profile of 2-[1,2-bis(4-methoxyphenyl)butylamino]-N-[(E)-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]acetamide
Property Insights of 2-[1,2-bis(4-methoxyphenyl)butylamino]-N-[(E)-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]acetamide
The XLogP value of 6.73732 indicates that 2-[1,2-bis(4-methoxyphenyl)butylamino]-N-[(E)-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1,2-bis(4-methoxyphenyl)butylamino]-N-[(E)-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]acetamide. Following Lipinski's Rule of Five, 2-[1,2-bis(4-methoxyphenyl)butylamino]-N-[(E)-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]acetamide has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[1,2-bis(4-methoxyphenyl)butylamino]-N-[(E)-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]acetamide?
The CAS number of 2-[1,2-bis(4-methoxyphenyl)butylamino]-N-[(E)-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]acetamide is 77579-62-5.
What is the molecular formula of 2-[1,2-bis(4-methoxyphenyl)butylamino]-N-[(E)-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]acetamide?
The molecular formula of 2-[1,2-bis(4-methoxyphenyl)butylamino]-N-[(E)-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]acetamide is C39H49N3O5.
What is the molecular weight of 2-[1,2-bis(4-methoxyphenyl)butylamino]-N-[(E)-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]acetamide?
The molecular weight of 2-[1,2-bis(4-methoxyphenyl)butylamino]-N-[(E)-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]acetamide is 639.37 g/mol.
Where can I buy 2-[1,2-bis(4-methoxyphenyl)butylamino]-N-[(E)-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]acetamide?
You can request a quote for 2-[1,2-bis(4-methoxyphenyl)butylamino]-N-[(E)-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1,2-bis(4-methoxyphenyl)butylamino]-N-[(E)-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[1,2-bis(4-methoxyphenyl)butylamino]-N-[(E)-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-1,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.