孕甾-4-烯-3,20-二酮 11,17-二羟基-21-((6-羟基-1-氧代己基)氧代)-(11β)-
TL;DR: 孕甾-4-烯-3,20-二酮 11,17-二羟基-21-((6-羟基-1-氧代己基)氧代)-(11β)- (CAS 114593-88-3) is a chemical compound with molecular formula C27H40O7 and molecular weight 476.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
孕甾-4-烯-3,20-二酮 11,17-二羟基-21-((6-羟基-1-氧代己基)氧代)-(11β)-
[2-[(9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 6-hydroxyhexanoate
Also Known As: Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-((6-hydroxy-1-oxohexyl)oxy)-, (11beta)-, Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-[(6-hydroxy-1-oxohexyl)oxy]-, (11.beta.)-, [2-[(9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 6-hydroxyhexanoate
| Molecular Formula | C27H40O7 |
|---|---|
| Molecular Weight | 476.28 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 476.2774 |
| Heavy Atoms | 34 |
| Complexity | 865.0 |
Chemical Identifiers
| CAS Number | 114593-88-3 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CCC3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CCCCCO)O)C)O |
| InChIKey | YUFRCVRCAXAMAD-YJEIGABGSA-N |
Product Overview
孕甾-4-烯-3,20-二酮 11,17-二羟基-21-((6-羟基-1-氧代己基)氧代)-(11β)- (CAS 114593-88-3), with molecular formula C27H40O7 and molecular weight 476.28 g/mol. IUPAC: [2-[(9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 6-hydroxyhexanoate.
Chemical Property Profile of 孕甾-4-烯-3,20-二酮 11,17-二羟基-21-((6-羟基-1-氧代己基)氧代)-(11β)-
Property Insights of 孕甾-4-烯-3,20-二酮 11,17-二羟基-21-((6-羟基-1-氧代己基)氧代)-(11β)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 孕甾-4-烯-3,20-二酮 11,17-二羟基-21-((6-羟基-1-氧代己基)氧代)-(11β)-. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 孕甾-4-烯-3,20-二酮 11,17-二羟基-21-((6-羟基-1-氧代己基)氧代)-(11β)-. Following Lipinski's Rule of Five, 孕甾-4-烯-3,20-二酮 11,17-二羟基-21-((6-羟基-1-氧代己基)氧代)-(11β)- has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 孕甾-4-烯-3,20-二酮 11,17-二羟基-21-((6-羟基-1-氧代己基)氧代)-(11β)-?
The CAS number of 孕甾-4-烯-3,20-二酮 11,17-二羟基-21-((6-羟基-1-氧代己基)氧代)-(11β)- is 114593-88-3.
What is the molecular formula of 孕甾-4-烯-3,20-二酮 11,17-二羟基-21-((6-羟基-1-氧代己基)氧代)-(11β)-?
The molecular formula of 孕甾-4-烯-3,20-二酮 11,17-二羟基-21-((6-羟基-1-氧代己基)氧代)-(11β)- is C27H40O7.
What is the molecular weight of 孕甾-4-烯-3,20-二酮 11,17-二羟基-21-((6-羟基-1-氧代己基)氧代)-(11β)-?
The molecular weight of 孕甾-4-烯-3,20-二酮 11,17-二羟基-21-((6-羟基-1-氧代己基)氧代)-(11β)- is 476.28 g/mol.
Where can I buy 孕甾-4-烯-3,20-二酮 11,17-二羟基-21-((6-羟基-1-氧代己基)氧代)-(11β)-?
You can request a quote for 孕甾-4-烯-3,20-二酮 11,17-二羟基-21-((6-羟基-1-氧代己基)氧代)-(11β)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 孕甾-4-烯-3,20-二酮 11,17-二羟基-21-((6-羟基-1-氧代己基)氧代)-(11β)-?
Yes, KEHONG BIO provides custom synthesis services for 孕甾-4-烯-3,20-二酮 11,17-二羟基-21-((6-羟基-1-氧代己基)氧代)-(11β)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.