Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, methyl ester
TL;DR: Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, methyl ester (CAS 7483-00-3) is a chemical compound with molecular formula C16H19NO3 and molecular weight 273.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-carbamoylhepta-1,6-dien-4-yl)benzoate
Also Known As: p-(1-Allyl-1-carbamoyl-3-butenyl)benzoic acid methyl ester, BENZOIC ACID, p-(1-ALLYL-1-CARBAMOYL-3-BUTENYL)-, METHYL ESTER, methyl 4-(4-carbamoylhepta-1,6-dien-4-yl)benzoate, RefChem:327802
| Molecular Formula | C16H19NO3 |
|---|---|
| Molecular Weight | 273.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 273.1365 |
| Heavy Atoms | 20 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 7483-00-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(CC=C)(CC=C)C(=O)N |
| InChIKey | RZYDKNWNFOWMEJ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, methyl ester (CAS 7483-00-3), with molecular formula C16H19NO3 and molecular weight 273.14 g/mol. IUPAC: methyl 4-(4-carbamoylhepta-1,6-dien-4-yl)benzoate.
Chemical Property Profile of Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, methyl ester
Property Insights of Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, methyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, methyl ester. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, methyl ester has 1 hydrogen bond donor(s) and 3 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 Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, methyl ester?
The CAS number of Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, methyl ester is 7483-00-3.
What is the molecular formula of Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, methyl ester?
The molecular formula of Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, methyl ester is C16H19NO3.
What is the molecular weight of Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, methyl ester?
The molecular weight of Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, methyl ester is 273.14 g/mol.
Where can I buy Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, methyl ester?
You can request a quote for Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.