苔色酸甲酯
TL;DR: 苔色酸甲酯 (CAS 3187-58-4) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苔色酸甲酯
methyl 2,4-dihydroxy-6-methylbenzoate
Also Known As: Methyl orsellinate, Methyl 2,4-dihydroxy-6-methylbenzoate, methylorsellinate, Methyl orselinate, Methyl o-orsellinate
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.0579 |
| Heavy Atoms | 13 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 3187-58-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C(=O)OC)O)O |
| InChIKey | NCCWCZLEACWJIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苔色酸甲酯 (CAS 3187-58-4), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: methyl 2,4-dihydroxy-6-methylbenzoate.
Chemical Property Profile of 苔色酸甲酯
Property Insights of 苔色酸甲酯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苔色酸甲酯. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 苔色酸甲酯. Following Lipinski's Rule of Five, 苔色酸甲酯 has 2 hydrogen bond donor(s) and 4 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 苔色酸甲酯?
The CAS number of 苔色酸甲酯 is 3187-58-4.
What is the molecular formula of 苔色酸甲酯?
The molecular formula of 苔色酸甲酯 is C9H10O4.
What is the molecular weight of 苔色酸甲酯?
The molecular weight of 苔色酸甲酯 is 182.06 g/mol.
Where can I buy 苔色酸甲酯?
You can request a quote for 苔色酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苔色酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 苔色酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.