15beta-Carboxyethylmercaptodehydroepiandrosterone
TL;DR: 15beta-Carboxyethylmercaptodehydroepiandrosterone (CAS 75929-63-4) is a chemical compound with molecular formula C22H32O4S and molecular weight 392.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(3S,10R,13S,15R)-3-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-15-yl]sulfanyl]propanoic acid
Also Known As: 15beta-Carboxyethylmercaptodehydroepiandrosterone, 15 Beta-carboxyethylmercaptodehydroepiandrosterone, 3-[(3-Hydroxy-17-oxoandrost-5-en-15-yl)sulfanyl]propanoic acid, 3-[[(3S,10R,13S,15R)-3-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-15-yl]sulfanyl]propanoic acid, 3-{[(8xi,9xi,14xi)-3beta-Hydroxy-17-oxoandrost-5-en-15beta-yl]sulfanyl}propanoic acid
| Molecular Formula | C22H32O4S |
|---|---|
| Molecular Weight | 392.20 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.20212 |
| Heavy Atoms | 27 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 75929-63-4 |
|---|---|
| SMILES | C[C@]12CC[C@@H](CC1=CCC3C2CC[C@]4(C3[C@@H](CC4=O)SCCC(=O)O)C)O |
| InChIKey | LUPLUYWQNXGHCA-NMUCFOEPSA-N |
Product Overview
15beta-Carboxyethylmercaptodehydroepiandrosterone (CAS 75929-63-4), with molecular formula C22H32O4S and molecular weight 392.20 g/mol. IUPAC: 3-[[(3S,10R,13S,15R)-3-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-15-yl]sulfanyl]propanoic acid.
Chemical Property Profile of 15beta-Carboxyethylmercaptodehydroepiandrosterone
Property Insights of 15beta-Carboxyethylmercaptodehydroepiandrosterone
The XLogP value of 3.1 indicates that 15beta-Carboxyethylmercaptodehydroepiandrosterone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 15beta-Carboxyethylmercaptodehydroepiandrosterone. Following Lipinski's Rule of Five, 15beta-Carboxyethylmercaptodehydroepiandrosterone has 2 hydrogen bond donor(s) and 5 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 15beta-Carboxyethylmercaptodehydroepiandrosterone?
The CAS number of 15beta-Carboxyethylmercaptodehydroepiandrosterone is 75929-63-4.
What is the molecular formula of 15beta-Carboxyethylmercaptodehydroepiandrosterone?
The molecular formula of 15beta-Carboxyethylmercaptodehydroepiandrosterone is C22H32O4S.
What is the molecular weight of 15beta-Carboxyethylmercaptodehydroepiandrosterone?
The molecular weight of 15beta-Carboxyethylmercaptodehydroepiandrosterone is 392.20 g/mol.
Where can I buy 15beta-Carboxyethylmercaptodehydroepiandrosterone?
You can request a quote for 15beta-Carboxyethylmercaptodehydroepiandrosterone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 15beta-Carboxyethylmercaptodehydroepiandrosterone?
Yes, KEHONG BIO provides custom synthesis services for 15beta-Carboxyethylmercaptodehydroepiandrosterone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.