EINECS 274-882-2
TL;DR: EINECS 274-882-2 (CAS 70776-88-4) is a chemical compound with molecular formula C28H43NO2 and molecular weight 425.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl-(3-oxobutyl)amino]butan-2-one
Also Known As: 4,4'-(abieta-8,11,13-trien-18-ylimino)dibutan-2-one, 2-Butanone, 4,4'-((((1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)methyl)imino)bis-, (1R-(1alpha,4abeta,10aalpha))-4,4'-(((1,2,3,4,4a,9,10,10a-Octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-yl)methyl)imino)bisbutan-2-one, [1R- ]-4,4'-[[[1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-yl]methyl]imino]bisbutan-2-one, [1R-(1alpha,4abeta,10aalpha)]-4,4'-[[[1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-yl]methyl]imino]bisbutan-2-one
| Molecular Formula | C28H43NO2 |
|---|---|
| Molecular Weight | 425.33 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 425.32938 |
| Heavy Atoms | 31 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 70776-88-4 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN(CCC(=O)C)CCC(=O)C)C |
| InChIKey | YPAVIPVDMOLQQS-UHFFFAOYSA-N |
Product Overview
EINECS 274-882-2 (CAS 70776-88-4), with molecular formula C28H43NO2 and molecular weight 425.33 g/mol. IUPAC: 4-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl-(3-oxobutyl)amino]butan-2-one.
Chemical Property Profile of EINECS 274-882-2
Property Insights of EINECS 274-882-2
The XLogP value of 5.7 indicates that EINECS 274-882-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, EINECS 274-882-2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 274-882-2 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 274-882-2?
The CAS number of EINECS 274-882-2 is 70776-88-4.
What is the molecular formula of EINECS 274-882-2?
The molecular formula of EINECS 274-882-2 is C28H43NO2.
What is the molecular weight of EINECS 274-882-2?
The molecular weight of EINECS 274-882-2 is 425.33 g/mol.
Where can I buy EINECS 274-882-2?
You can request a quote for EINECS 274-882-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 274-882-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 274-882-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.