Butyl 4-Carboxyphenyl Carbonate
TL;DR: Butyl 4-Carboxyphenyl Carbonate (CAS 1421-81-4) is a chemical compound with molecular formula C12H14O5 and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxycarbonyloxybenzoic acid
Also Known As: Butyl 4-Carboxyphenyl Carbonate, 4-((Butoxycarbonyl)oxy)benzoic acid, 4-butoxycarbonyloxybenzoic acid, 4-[(Butoxycarbonyl)oxy]benzoic acid, 4-Carboxyphenyl Butyl Carbonate
| Molecular Formula | C12H14O5 |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 238.08412 |
| Heavy Atoms | 17 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 1421-81-4 |
|---|---|
| SMILES | CCCCOC(=O)OC1=CC=C(C=C1)C(=O)O |
| InChIKey | GNBKEARJFHTJMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 4-Carboxyphenyl Carbonate (CAS 1421-81-4), with molecular formula C12H14O5 and molecular weight 238.08 g/mol. IUPAC: 4-butoxycarbonyloxybenzoic acid.
Chemical Property Profile of Butyl 4-Carboxyphenyl Carbonate
Property Insights of Butyl 4-Carboxyphenyl Carbonate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 4-Carboxyphenyl Carbonate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-Carboxyphenyl Carbonate. Following Lipinski's Rule of Five, Butyl 4-Carboxyphenyl Carbonate has 1 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 Butyl 4-Carboxyphenyl Carbonate?
The CAS number of Butyl 4-Carboxyphenyl Carbonate is 1421-81-4.
What is the molecular formula of Butyl 4-Carboxyphenyl Carbonate?
The molecular formula of Butyl 4-Carboxyphenyl Carbonate is C12H14O5.
What is the molecular weight of Butyl 4-Carboxyphenyl Carbonate?
The molecular weight of Butyl 4-Carboxyphenyl Carbonate is 238.08 g/mol.
Where can I buy Butyl 4-Carboxyphenyl Carbonate?
You can request a quote for Butyl 4-Carboxyphenyl Carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-Carboxyphenyl Carbonate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-Carboxyphenyl Carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.