RefChem:314804
TL;DR: RefChem:314804 (CAS 114967-91-8) is a chemical compound with molecular formula C27H41NO5S and molecular weight 491.27054 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[(10R,11S,13S,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]sulfanyl-N,N-diethylacetamide
Also Known As: N,N-Diethyl-2-((11-beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)thio)acetamide, (11-beta,17-alpha-Dihydroxy-4-pregnene-3,20-dion-21-yl-21-thio)acetic acid diethylamide, Acetamide, N,N-diethyl-2-((11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)thio)-, (11-beta)-, 2-[(11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl)sulfanyl]-N,N-diethylacetamide, 2-[2-[(10R,11S,13S,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]sulfanyl-N,N-diethylacetamide
Technical Specifications
| Molecular Formula | C27H41NO5S |
| Molecular Weight | 491.27054 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.27054 Da |
| Heavy Atoms | 34 |
| Complexity | 884.0 |
| SMILES | CCN(CC)C(=O)CSCC(=O)[C@]1(CCC2[C@@]1(C[C@@H](C3C2CCC4=CC(=O)CC[C@]34C)O)C)O |
| InChIKey | AEPCCILPSNUTKH-FNDRNOHDSA-N |
Chemical Property Profile of RefChem:314804
Property Insights of RefChem:314804
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:314804. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:314804. Following Lipinski's Rule of Five, RefChem:314804 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:314804?
The CAS number of RefChem:314804 is 114967-91-8.
What is the molecular formula of RefChem:314804?
The molecular formula of RefChem:314804 is C27H41NO5S.
What is the molecular weight of RefChem:314804?
The molecular weight of RefChem:314804 is 491.27054 g/mol.
Where can I buy RefChem:314804?
You can request a quote for RefChem:314804 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:314804?
Yes, CoreyChem provides custom synthesis services for RefChem:314804 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.