Butyl 4-(methylcarbamoyloxy)benzoate
TL;DR: Butyl 4-(methylcarbamoyloxy)benzoate (CAS 38491-25-7) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(methylcarbamoyloxy)benzoate
Also Known As: butyl 4-(methylcarbamoyloxy)benzoate, azanium dibutyl phosphate, Butyl 4-((methylcarbamoyl)oxy)benzoate, butyl 4-{[(methylamino)carbonyl]oxy}benzoate, BUTYL 4-[(METHYLCARBAMOYL)OXY]BENZOATE
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 38491-25-7 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)OC(=O)NC |
| InChIKey | QQDKABCPMWHSBH-UHFFFAOYSA-N |
Product Overview
Butyl 4-(methylcarbamoyloxy)benzoate (CAS 38491-25-7), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: butyl 4-(methylcarbamoyloxy)benzoate.
Chemical Property Profile of Butyl 4-(methylcarbamoyloxy)benzoate
Property Insights of Butyl 4-(methylcarbamoyloxy)benzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 4-(methylcarbamoyloxy)benzoate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-(methylcarbamoyloxy)benzoate. Following Lipinski's Rule of Five, Butyl 4-(methylcarbamoyloxy)benzoate has 1 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 Butyl 4-(methylcarbamoyloxy)benzoate?
The CAS number of Butyl 4-(methylcarbamoyloxy)benzoate is 38491-25-7.
What is the molecular formula of Butyl 4-(methylcarbamoyloxy)benzoate?
The molecular formula of Butyl 4-(methylcarbamoyloxy)benzoate is C13H17NO4.
What is the molecular weight of Butyl 4-(methylcarbamoyloxy)benzoate?
The molecular weight of Butyl 4-(methylcarbamoyloxy)benzoate is 251.12 g/mol.
Where can I buy Butyl 4-(methylcarbamoyloxy)benzoate?
You can request a quote for Butyl 4-(methylcarbamoyloxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-(methylcarbamoyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-(methylcarbamoyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.