Benzyl 1,3-butadienylcarbamate
TL;DR: Benzyl 1,3-butadienylcarbamate (CAS 65899-49-2) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-buta-1,3-dienylcarbamate
Also Known As: benzyl N-butadienylcarbamate, Benzyl 1,3-butadienylcarbamate, Benzyl 1,3-Butadiene-1-carbamate, benzyl N-buta-1,3-dienylcarbamate, NCI60_005296
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 65899-49-2 |
|---|---|
| SMILES | C=CC=CNC(=O)OCC1=CC=CC=C1 |
| InChIKey | LSQDRSXFUSBRBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 1,3-butadienylcarbamate (CAS 65899-49-2), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: benzyl N-buta-1,3-dienylcarbamate.
Chemical Property Profile of Benzyl 1,3-butadienylcarbamate
Property Insights of Benzyl 1,3-butadienylcarbamate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 1,3-butadienylcarbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Benzyl 1,3-butadienylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 1,3-butadienylcarbamate has 1 hydrogen bond donor(s) and 2 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 Benzyl 1,3-butadienylcarbamate?
The CAS number of Benzyl 1,3-butadienylcarbamate is 65899-49-2.
What is the molecular formula of Benzyl 1,3-butadienylcarbamate?
The molecular formula of Benzyl 1,3-butadienylcarbamate is C12H13NO2.
What is the molecular weight of Benzyl 1,3-butadienylcarbamate?
The molecular weight of Benzyl 1,3-butadienylcarbamate is 203.09 g/mol.
Where can I buy Benzyl 1,3-butadienylcarbamate?
You can request a quote for Benzyl 1,3-butadienylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 1,3-butadienylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 1,3-butadienylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.