3beta-Hydroxyandrost-5-en-17-one bis(carboxymethyl)mercaptole
TL;DR: 3beta-Hydroxyandrost-5-en-17-one bis(carboxymethyl)mercaptole (CAS 21231-47-0) is a chemical compound with molecular formula C23H34O5S2 and molecular weight 454.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(3S,8R,9S,10R,13S,14S)-17-(carboxymethylsulfanyl)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]sulfanyl]acetic acid
Also Known As: 3beta-Hydroxyandrost-5-en-17-one bis(carboxymethyl)mercaptole, ((3.BETA.-HYDROXYANDROST-5-EN-17-YLIDENE)DITHIO)DI-ACETIC ACID, 2,2'-{[(3, A)-3-hydroxyandrost-5-ene-17,17-diyl]disulfanediyl}diacetic acid, 3.BETA.-HYDROXYANDROST-5-EN-17-ONE BIS(CARBOXYMETHYL)MERCAPTOLE
| Molecular Formula | C23H34O5S2 |
|---|---|
| Molecular Weight | 454.18 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.18475 |
| Heavy Atoms | 30 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 21231-47-0 |
|---|---|
| SMILES | C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4(SCC(=O)O)SCC(=O)O)C)O |
| InChIKey | BPKFRRUYPHJVMX-ASOAYHERSA-N |
Product Overview
3beta-Hydroxyandrost-5-en-17-one bis(carboxymethyl)mercaptole (CAS 21231-47-0), with molecular formula C23H34O5S2 and molecular weight 454.18 g/mol. IUPAC: 2-[[(3S,8R,9S,10R,13S,14S)-17-(carboxymethylsulfanyl)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]sulfanyl]acetic acid.
Chemical Property Profile of 3beta-Hydroxyandrost-5-en-17-one bis(carboxymethyl)mercaptole
Property Insights of 3beta-Hydroxyandrost-5-en-17-one bis(carboxymethyl)mercaptole
The XLogP value of 4.6 indicates that 3beta-Hydroxyandrost-5-en-17-one bis(carboxymethyl)mercaptole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting 3beta-Hydroxyandrost-5-en-17-one bis(carboxymethyl)mercaptole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3beta-Hydroxyandrost-5-en-17-one bis(carboxymethyl)mercaptole 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 3beta-Hydroxyandrost-5-en-17-one bis(carboxymethyl)mercaptole?
The CAS number of 3beta-Hydroxyandrost-5-en-17-one bis(carboxymethyl)mercaptole is 21231-47-0.
What is the molecular formula of 3beta-Hydroxyandrost-5-en-17-one bis(carboxymethyl)mercaptole?
The molecular formula of 3beta-Hydroxyandrost-5-en-17-one bis(carboxymethyl)mercaptole is C23H34O5S2.
What is the molecular weight of 3beta-Hydroxyandrost-5-en-17-one bis(carboxymethyl)mercaptole?
The molecular weight of 3beta-Hydroxyandrost-5-en-17-one bis(carboxymethyl)mercaptole is 454.18 g/mol.
Where can I buy 3beta-Hydroxyandrost-5-en-17-one bis(carboxymethyl)mercaptole?
You can request a quote for 3beta-Hydroxyandrost-5-en-17-one bis(carboxymethyl)mercaptole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta-Hydroxyandrost-5-en-17-one bis(carboxymethyl)mercaptole?
Yes, KEHONG BIO provides custom synthesis services for 3beta-Hydroxyandrost-5-en-17-one bis(carboxymethyl)mercaptole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.