Carbamic acid, ((methylnitrosamino)methyl)-, benzyl ester
TL;DR: Carbamic acid, ((methylnitrosamino)methyl)-, benzyl ester (CAS 70583-21-0) is a chemical compound with molecular formula C10H13N3O3 and molecular weight 223.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[[methyl(nitroso)amino]methyl]carbamate
Also Known As: ((Methylnitrosamino)methyl)carbamic acid benzyl ester, benzyl N-[[methyl(nitroso)amino]methyl]carbamate, CARBAMIC ACID, ((METHYLNITROSAMINO)METHYL)-, BENZYL ESTER, Benzyl {[methyl(nitroso)amino]methyl}carbamate, benzyl N-{[methyl(nitroso)amino]methyl}carbamate
| Molecular Formula | C10H13N3O3 |
|---|---|
| Molecular Weight | 223.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.09569 |
| Heavy Atoms | 16 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 70583-21-0 |
|---|---|
| SMILES | CN(CNC(=O)OCC1=CC=CC=C1)N=O |
| InChIKey | KGNPYIWSGQVZGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, ((methylnitrosamino)methyl)-, benzyl ester (CAS 70583-21-0), with molecular formula C10H13N3O3 and molecular weight 223.10 g/mol. IUPAC: benzyl N-[[methyl(nitroso)amino]methyl]carbamate.
Chemical Property Profile of Carbamic acid, ((methylnitrosamino)methyl)-, benzyl ester
Property Insights of Carbamic acid, ((methylnitrosamino)methyl)-, benzyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, ((methylnitrosamino)methyl)-, benzyl ester. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, ((methylnitrosamino)methyl)-, benzyl ester. Following Lipinski's Rule of Five, Carbamic acid, ((methylnitrosamino)methyl)-, benzyl ester 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 Carbamic acid, ((methylnitrosamino)methyl)-, benzyl ester?
The CAS number of Carbamic acid, ((methylnitrosamino)methyl)-, benzyl ester is 70583-21-0.
What is the molecular formula of Carbamic acid, ((methylnitrosamino)methyl)-, benzyl ester?
The molecular formula of Carbamic acid, ((methylnitrosamino)methyl)-, benzyl ester is C10H13N3O3.
What is the molecular weight of Carbamic acid, ((methylnitrosamino)methyl)-, benzyl ester?
The molecular weight of Carbamic acid, ((methylnitrosamino)methyl)-, benzyl ester is 223.10 g/mol.
Where can I buy Carbamic acid, ((methylnitrosamino)methyl)-, benzyl ester?
You can request a quote for Carbamic acid, ((methylnitrosamino)methyl)-, benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, ((methylnitrosamino)methyl)-, benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, ((methylnitrosamino)methyl)-, benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.