KS I
TL;DR: KS I (CAS 130752-21-5) is a chemical compound with molecular formula C18H14O8 and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid
Also Known As: KS I, Epiphyllic acid, 1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid, 2,3-Naphthalenedicarboxylic acid, 1-(3,4-dihydroxyphenyl)-1,2-dihydro-6,7-dihydroxy-, 2,3-Dicarboxy-6,7-dihydroxy-1-(3',4'-dihydroxy)phenyl-1,2-dihydronaphthalene
| Molecular Formula | C18H14O8 |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 1.8233 |
| Topological Polar Surface Area | 155.52 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.06888 |
| Heavy Atoms | 26 |
| Complexity | 959.90375 |
Chemical Identifiers
| CAS Number | 130752-21-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2C(C(=CC3=CC(=C(C=C23)O)O)C(=O)O)C(=O)O)O)O |
Product Overview
KS I (CAS 130752-21-5), with molecular formula C18H14O8 and molecular weight 358.07 g/mol. IUPAC: 1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid.
Chemical Property Profile of KS I
Property Insights of KS I
The XLogP value of 1.8233 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KS I. The TPSA of 155.52 Ų indicates high polarity, suggesting KS I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KS I has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KS I?
The CAS number of KS I is 130752-21-5.
What is the molecular formula of KS I?
The molecular formula of KS I is C18H14O8.
What is the molecular weight of KS I?
The molecular weight of KS I is 358.07 g/mol.
Where can I buy KS I?
You can request a quote for KS I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KS I?
Yes, KEHONG BIO provides custom synthesis services for KS I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.