黑盘灰衣素
TL;DR: 黑盘灰衣素 (CAS 479-20-9) is a chemical compound with molecular formula C19H18O8 and molecular weight 374.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
黑盘灰衣素
(3-hydroxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-formyl-2,4-dihydroxy-6-methylbenzoate
Also Known As: Atranorin, Atranoric acid, Atranorine, Parmelin, Usnarin
| Molecular Formula | C19H18O8 |
|---|---|
| Molecular Weight | 374.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.10016 |
| Heavy Atoms | 27 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 479-20-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)C(=O)OC)O)C)O)C=O)O |
| InChIKey | YLOYKYXNDHOHHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
黑盘灰衣素 (CAS 479-20-9), with molecular formula C19H18O8 and molecular weight 374.10 g/mol. IUPAC: (3-hydroxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-formyl-2,4-dihydroxy-6-methylbenzoate.
Chemical Property Profile of 黑盘灰衣素
Property Insights of 黑盘灰衣素
The XLogP value of 4.3 indicates that 黑盘灰衣素 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 黑盘灰衣素. Following Lipinski's Rule of Five, 黑盘灰衣素 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 黑盘灰衣素?
The CAS number of 黑盘灰衣素 is 479-20-9.
What is the molecular formula of 黑盘灰衣素?
The molecular formula of 黑盘灰衣素 is C19H18O8.
What is the molecular weight of 黑盘灰衣素?
The molecular weight of 黑盘灰衣素 is 374.10 g/mol.
Where can I buy 黑盘灰衣素?
You can request a quote for 黑盘灰衣素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 黑盘灰衣素?
Yes, KEHONG BIO provides custom synthesis services for 黑盘灰衣素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.