6-OH-7-Sms
TL;DR: 6-OH-7-Sms (CAS 5415-54-3) is a chemical compound with molecular formula C23H32O4S and molecular weight 404.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,7S,8R,10R,13S,14S,17R)-6-hydroxy-10,13-dimethyl-7-methylsulfanylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
Also Known As: 6-OH-7-Sms, 6-Hydroxy-7-thiomethylspirolactone, KST-1A5648, KST-1A5649, 6beta-Hydroxy-7alpha-thiomethylspirolactone
| Molecular Formula | C23H32O4S |
|---|---|
| Molecular Weight | 404.20 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 404.20212 |
| Heavy Atoms | 28 |
| Complexity | 762.0 |
Chemical Identifiers
| CAS Number | 5415-54-3 |
|---|---|
| SMILES | C[C@]12CCC3[C@H]([C@@H]1CC[C@@]24CCC(=O)O4)[C@@H]([C@H](C5=CC(=O)CC[C@]35C)O)SC |
| InChIKey | NWLBSWATTSRBOV-DSZVNDRJSA-N |
Product Overview
6-OH-7-Sms (CAS 5415-54-3), with molecular formula C23H32O4S and molecular weight 404.20 g/mol. IUPAC: (6S,7S,8R,10R,13S,14S,17R)-6-hydroxy-10,13-dimethyl-7-methylsulfanylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione.
Chemical Property Profile of 6-OH-7-Sms
Property Insights of 6-OH-7-Sms
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-OH-7-Sms. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-OH-7-Sms. Following Lipinski's Rule of Five, 6-OH-7-Sms has 1 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 6-OH-7-Sms?
The CAS number of 6-OH-7-Sms is 5415-54-3.
What is the molecular formula of 6-OH-7-Sms?
The molecular formula of 6-OH-7-Sms is C23H32O4S.
What is the molecular weight of 6-OH-7-Sms?
The molecular weight of 6-OH-7-Sms is 404.20 g/mol.
Where can I buy 6-OH-7-Sms?
You can request a quote for 6-OH-7-Sms directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-OH-7-Sms?
Yes, KEHONG BIO provides custom synthesis services for 6-OH-7-Sms and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.