Chloroatranorin
TL;DR: Chloroatranorin (CAS 479-16-3) is a chemical compound with molecular formula C19H17ClO8 and molecular weight 408.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxy-4-methoxycarbonyl-2,5-dimethylphenyl) 5-chloro-3-formyl-2,4-dihydroxy-6-methylbenzoate
Also Known As: Chloroatranorin, Chloratranorin, 5-Chlor-atranorin, 5-CHLOROATRANORIN, Spectrum5_002072
| Molecular Formula | C19H17ClO8 |
|---|---|
| Molecular Weight | 408.06 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.0612 |
| Heavy Atoms | 28 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 479-16-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C(=O)OC)O)C)OC(=O)C2=C(C(=C(C(=C2O)C=O)O)Cl)C |
| InChIKey | ABZLZZCDSLOCNF-UHFFFAOYSA-N |
Product Overview
Chloroatranorin (CAS 479-16-3), with molecular formula C19H17ClO8 and molecular weight 408.06 g/mol. IUPAC: (3-hydroxy-4-methoxycarbonyl-2,5-dimethylphenyl) 5-chloro-3-formyl-2,4-dihydroxy-6-methylbenzoate.
Chemical Property Profile of Chloroatranorin
Property Insights of Chloroatranorin
The XLogP value of 5.0 indicates that Chloroatranorin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Chloroatranorin. Following Lipinski's Rule of Five, Chloroatranorin has 3 hydrogen bond donor(s) and 8 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 Chloroatranorin?
The CAS number of Chloroatranorin is 479-16-3.
What is the molecular formula of Chloroatranorin?
The molecular formula of Chloroatranorin is C19H17ClO8.
What is the molecular weight of Chloroatranorin?
The molecular weight of Chloroatranorin is 408.06 g/mol.
Where can I buy Chloroatranorin?
You can request a quote for Chloroatranorin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloroatranorin?
Yes, KEHONG BIO provides custom synthesis services for Chloroatranorin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.