6-Methylprednisolone-21-hemisuberate N,N,N'-triethylenediamine amide
TL;DR: 6-Methylprednisolone-21-hemisuberate N,N,N'-triethylenediamine amide (CAS 3338-05-4) is a chemical compound with molecular formula C38H60N2O7 and molecular weight 656.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 8-[2-(diethylamino)ethyl-ethylamino]-8-oxooctanoate
Also Known As: TMPS, 6-Methylprednisolone-21-hemisuberate N,N,N'-triethylenediamine amide, [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 8-[2-(diethylamino)ethyl-ethylamino]-8-oxooctanoate, Pregna-1,4-diene-3,20-dione, 21-((8-((2-(diethylamino)ethyl)ethylamino)-1,8-dioxooctyl)oxy)-11,17-dihydroxy-6-methyl-, (6alpha,11beta)-, [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 8-[2-diethylaminoethyl(ethyl)amino]-8-oxooctanoate
| Molecular Formula | C38H60N2O7 |
|---|---|
| Molecular Weight | 656.44 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 656.44006 |
| Heavy Atoms | 47 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 3338-05-4 |
|---|---|
| SMILES | CCN(CC)CCN(CC)C(=O)CCCCCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)C)O)C)O |
| InChIKey | MONVLJKZTUMHGF-WOWALGLLSA-N |
Product Overview
6-Methylprednisolone-21-hemisuberate N,N,N'-triethylenediamine amide (CAS 3338-05-4), with molecular formula C38H60N2O7 and molecular weight 656.44 g/mol. IUPAC: [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 8-[2-(diethylamino)ethyl-ethylamino]-8-oxooctanoate.
Chemical Property Profile of 6-Methylprednisolone-21-hemisuberate N,N,N'-triethylenediamine amide
Property Insights of 6-Methylprednisolone-21-hemisuberate N,N,N'-triethylenediamine amide
The XLogP value of 5.0 indicates that 6-Methylprednisolone-21-hemisuberate N,N,N'-triethylenediamine amide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methylprednisolone-21-hemisuberate N,N,N'-triethylenediamine amide. Following Lipinski's Rule of Five, 6-Methylprednisolone-21-hemisuberate N,N,N'-triethylenediamine amide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Methylprednisolone-21-hemisuberate N,N,N'-triethylenediamine amide?
The CAS number of 6-Methylprednisolone-21-hemisuberate N,N,N'-triethylenediamine amide is 3338-05-4.
What is the molecular formula of 6-Methylprednisolone-21-hemisuberate N,N,N'-triethylenediamine amide?
The molecular formula of 6-Methylprednisolone-21-hemisuberate N,N,N'-triethylenediamine amide is C38H60N2O7.
What is the molecular weight of 6-Methylprednisolone-21-hemisuberate N,N,N'-triethylenediamine amide?
The molecular weight of 6-Methylprednisolone-21-hemisuberate N,N,N'-triethylenediamine amide is 656.44 g/mol.
Where can I buy 6-Methylprednisolone-21-hemisuberate N,N,N'-triethylenediamine amide?
You can request a quote for 6-Methylprednisolone-21-hemisuberate N,N,N'-triethylenediamine amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methylprednisolone-21-hemisuberate N,N,N'-triethylenediamine amide?
Yes, KEHONG BIO provides custom synthesis services for 6-Methylprednisolone-21-hemisuberate N,N,N'-triethylenediamine amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.