Isogentisin
TL;DR: Isogentisin (CAS 491-64-5) is a chemical compound with molecular formula C14H10O5 and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dihydroxy-7-methoxyxanthen-9-one
Also Known As: Isogentisin, Isogentisine, 1,3-Dihydroxy-7-methoxy-9H-xanthen-9-one, Iso-gentisin, 1,3-dihydroxy-7-methoxyxanthone
| Molecular Formula | C14H10O5 |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 2.366 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.05283 |
| Heavy Atoms | 19 |
| Complexity | 847.68933 |
Chemical Identifiers
| CAS Number | 491-64-5 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)O |
Product Overview
Isogentisin (CAS 491-64-5), with molecular formula C14H10O5 and molecular weight 258.05 g/mol. IUPAC: 1,3-dihydroxy-7-methoxyxanthen-9-one.
Chemical Property Profile of Isogentisin
Property Insights of Isogentisin
The XLogP value of 2.366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isogentisin. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Isogentisin. Following Lipinski's Rule of Five, Isogentisin has 2 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 Isogentisin?
The CAS number of Isogentisin is 491-64-5.
What is the molecular formula of Isogentisin?
The molecular formula of Isogentisin is C14H10O5.
What is the molecular weight of Isogentisin?
The molecular weight of Isogentisin is 258.05 g/mol.
Where can I buy Isogentisin?
You can request a quote for Isogentisin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isogentisin?
Yes, KEHONG BIO provides custom synthesis services for Isogentisin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.