KST-1A4553
TL;DR: KST-1A4553 (CAS 3984-14-3) is a chemical compound with molecular formula C18H32O3 and molecular weight 296.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,3aS,5aS,6R,7R,9aR,9bS)-6-(3-hydroxypropyl)-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3,7-diol
Also Known As: KST-1A4553, (3s,3as,5as,6r,7r,9ar,9bs)-6-(3-hydroxypropyl)-3a,6-dimethyldodecahydro-1h-cyclopenta[a]naphthalene-3,7-diol, (3S,3aS,5aS,6R,7R,9aR,9bS)-6-(3-hydroxypropyl)-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3,7-diol
| Molecular Formula | C18H32O3 |
|---|---|
| Molecular Weight | 296.24 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.23514 |
| Heavy Atoms | 21 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 3984-14-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@H]([C@]3(C)CCCO)O |
| InChIKey | ACUPKQHIFDBMOE-TTYRWSMDSA-N |
Product Overview
KST-1A4553 (CAS 3984-14-3), with molecular formula C18H32O3 and molecular weight 296.24 g/mol. IUPAC: (3S,3aS,5aS,6R,7R,9aR,9bS)-6-(3-hydroxypropyl)-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3,7-diol.
Chemical Property Profile of KST-1A4553
Property Insights of KST-1A4553
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A4553. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A4553. Following Lipinski's Rule of Five, KST-1A4553 has 3 hydrogen bond donor(s) and 3 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 KST-1A4553?
The CAS number of KST-1A4553 is 3984-14-3.
What is the molecular formula of KST-1A4553?
The molecular formula of KST-1A4553 is C18H32O3.
What is the molecular weight of KST-1A4553?
The molecular weight of KST-1A4553 is 296.24 g/mol.
Where can I buy KST-1A4553?
You can request a quote for KST-1A4553 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A4553?
Yes, KEHONG BIO provides custom synthesis services for KST-1A4553 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.