Carbamic acid, (aminocarbonyl)-, phenylmethyl ester
TL;DR: Carbamic acid, (aminocarbonyl)-, phenylmethyl ester (CAS 49679-15-4) is a chemical compound with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-carbamoylcarbamate
Also Known As: Benzyl allophanate, Allophanic acid, benzyl ester, benzyl carbamoylcarbamate, benzyl N-carbamoylcarbamate, Phenylmethyl (aminocarbonyl)carbamate
| Molecular Formula | C9H10N2O3 |
|---|---|
| Molecular Weight | 194.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.06914 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 49679-15-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NC(=O)N |
| InChIKey | OPNZKSWUAFBELV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, (aminocarbonyl)-, phenylmethyl ester (CAS 49679-15-4), with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol. IUPAC: benzyl N-carbamoylcarbamate.
Chemical Property Profile of Carbamic acid, (aminocarbonyl)-, phenylmethyl ester
Property Insights of Carbamic acid, (aminocarbonyl)-, phenylmethyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (aminocarbonyl)-, phenylmethyl ester. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, (aminocarbonyl)-, phenylmethyl ester. Following Lipinski's Rule of Five, Carbamic acid, (aminocarbonyl)-, phenylmethyl ester has 2 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 Carbamic acid, (aminocarbonyl)-, phenylmethyl ester?
The CAS number of Carbamic acid, (aminocarbonyl)-, phenylmethyl ester is 49679-15-4.
What is the molecular formula of Carbamic acid, (aminocarbonyl)-, phenylmethyl ester?
The molecular formula of Carbamic acid, (aminocarbonyl)-, phenylmethyl ester is C9H10N2O3.
What is the molecular weight of Carbamic acid, (aminocarbonyl)-, phenylmethyl ester?
The molecular weight of Carbamic acid, (aminocarbonyl)-, phenylmethyl ester is 194.07 g/mol.
Where can I buy Carbamic acid, (aminocarbonyl)-, phenylmethyl ester?
You can request a quote for Carbamic acid, (aminocarbonyl)-, phenylmethyl 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, (aminocarbonyl)-, phenylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (aminocarbonyl)-, phenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.