4-乙氧羰基氧基-3,5-二甲氧基苯甲酸
TL;DR: 4-乙氧羰基氧基-3,5-二甲氧基苯甲酸 (CAS 18780-67-1) is a chemical compound with molecular formula C12H14O7 and molecular weight 270.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-乙氧羰基氧基-3,5-二甲氧基苯甲酸
4-ethoxycarbonyloxy-3,5-dimethoxybenzoic acid
Also Known As: 4-Ethoxycarbonyloxy-3,5-dimethoxybenzoic acid, Carbethoxysyringic acid, 4-[(ethoxycarbonyl)oxy]-3,5-dimethoxybenzoic acid, 4-((Ethoxycarbonyl)oxy)-3,5-dimethoxybenzoic acid, Benzoic acid, 4-[(ethoxycarbonyl)oxy]-3,5-dimethoxy-
| Molecular Formula | C12H14O7 |
|---|---|
| Molecular Weight | 270.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 270.07394 |
| Heavy Atoms | 19 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 18780-67-1 |
|---|---|
| SMILES | CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)O)OC |
| InChIKey | KSIOSIYBQLJZIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-乙氧羰基氧基-3,5-二甲氧基苯甲酸 (CAS 18780-67-1), with molecular formula C12H14O7 and molecular weight 270.07 g/mol. IUPAC: 4-ethoxycarbonyloxy-3,5-dimethoxybenzoic acid.
Chemical Property Profile of 4-乙氧羰基氧基-3,5-二甲氧基苯甲酸
Property Insights of 4-乙氧羰基氧基-3,5-二甲氧基苯甲酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-乙氧羰基氧基-3,5-二甲氧基苯甲酸. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-乙氧羰基氧基-3,5-二甲氧基苯甲酸. Following Lipinski's Rule of Five, 4-乙氧羰基氧基-3,5-二甲氧基苯甲酸 has 1 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 4-乙氧羰基氧基-3,5-二甲氧基苯甲酸?
The CAS number of 4-乙氧羰基氧基-3,5-二甲氧基苯甲酸 is 18780-67-1.
What is the molecular formula of 4-乙氧羰基氧基-3,5-二甲氧基苯甲酸?
The molecular formula of 4-乙氧羰基氧基-3,5-二甲氧基苯甲酸 is C12H14O7.
What is the molecular weight of 4-乙氧羰基氧基-3,5-二甲氧基苯甲酸?
The molecular weight of 4-乙氧羰基氧基-3,5-二甲氧基苯甲酸 is 270.07 g/mol.
Where can I buy 4-乙氧羰基氧基-3,5-二甲氧基苯甲酸?
You can request a quote for 4-乙氧羰基氧基-3,5-二甲氧基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-乙氧羰基氧基-3,5-二甲氧基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-乙氧羰基氧基-3,5-二甲氧基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.