KST-1A7388
TL;DR: KST-1A7388 (CAS 67112-56-5) is a chemical compound with molecular formula C20H16O4 and molecular weight 320.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5S,11S,12R)-4,5,11,12-tetrahydrobenzo[a]pyrene-4,5,11,12-tetrol
Also Known As: KST-1A7388, (R)-4-Amino-3-p-tolylbutanoic acid, (4r,5s,11s,12r)-4,5,11,12-tetrahydrobenzo[pqr]tetraphene-4,5,11,12-tetrol, Benzo(a)pyrene-4,5,11,12-tetrol, 4,5,11,12-tetrahydro-, (4alpha,5alpha,11beta,12beta)-, (4R,5S,11S,12R)-4,5,11,12-tetrahydrobenzo[a]pyrene-4,5,11,12-tetrol
| Molecular Formula | C20H16O4 |
|---|---|
| Molecular Weight | 320.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 320.10486 |
| Heavy Atoms | 24 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 67112-56-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3[C@@H]([C@@H](C4=C5C3=C2[C@@H]([C@@H](C5=CC=C4)O)O)O)O |
| InChIKey | WRNGMSGWLSVVLZ-ZRNYENFQSA-N |
Product Overview
KST-1A7388 (CAS 67112-56-5), with molecular formula C20H16O4 and molecular weight 320.10 g/mol. IUPAC: (4R,5S,11S,12R)-4,5,11,12-tetrahydrobenzo[a]pyrene-4,5,11,12-tetrol.
Chemical Property Profile of KST-1A7388
Property Insights of KST-1A7388
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A7388. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A7388. Following Lipinski's Rule of Five, KST-1A7388 has 4 hydrogen bond donor(s) and 4 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-1A7388?
The CAS number of KST-1A7388 is 67112-56-5.
What is the molecular formula of KST-1A7388?
The molecular formula of KST-1A7388 is C20H16O4.
What is the molecular weight of KST-1A7388?
The molecular weight of KST-1A7388 is 320.10 g/mol.
Where can I buy KST-1A7388?
You can request a quote for KST-1A7388 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A7388?
Yes, KEHONG BIO provides custom synthesis services for KST-1A7388 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.