RefChem:1086590
TL;DR: RefChem:1086590 (CAS 93203-03-3) is a chemical compound with molecular formula C21H25NO7 and molecular weight 403.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-6-oxohexanoate;1-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol
Also Known As: 1,2,3,4-Tetrahydro-1-(4-hydroxyphenyl)-4,6-isoquinolinediol hexanedioate, 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-hydroxyphenyl)-, hexanedioate (1:1), 6-hydroxy-6-oxohexanoate;1-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol, 4,6-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1-(4-HYDROXYPHENYL)-, HEXANEDIOATE (1:1, Hexanedioic acid--1-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol (1/1)
| Molecular Formula | C21H25NO7 |
|---|---|
| Molecular Weight | 403.16 g/mol |
| LogP | 0.18 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.16312 |
| Heavy Atoms | 29 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 93203-03-3 |
|---|---|
| SMILES | C1C(C2=C(C=CC(=C2)O)C([NH2+]1)C3=CC=C(C=C3)O)O.C(CCC(=O)[O-])CC(=O)O |
| InChIKey | CPNCKFLCWPDSLK-UHFFFAOYSA-N |
Product Overview
RefChem:1086590 (CAS 93203-03-3), with molecular formula C21H25NO7 and molecular weight 403.16 g/mol. IUPAC: 6-hydroxy-6-oxohexanoate;1-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol.
Chemical Property Profile of RefChem:1086590
Property Insights of RefChem:1086590
The XLogP value of 0.18 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1086590. The TPSA of 155.0 Ų indicates high polarity, suggesting RefChem:1086590 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1086590 has 5 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 RefChem:1086590?
The CAS number of RefChem:1086590 is 93203-03-3.
What is the molecular formula of RefChem:1086590?
The molecular formula of RefChem:1086590 is C21H25NO7.
What is the molecular weight of RefChem:1086590?
The molecular weight of RefChem:1086590 is 403.16 g/mol.
Where can I buy RefChem:1086590?
You can request a quote for RefChem:1086590 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1086590?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1086590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.