Carbamic acid, N-(2-chloroethyl)-N-ethyl-, 4-nitroso-3,5-xylyl ester
TL;DR: Carbamic acid, N-(2-chloroethyl)-N-ethyl-, 4-nitroso-3,5-xylyl ester (CAS 63884-90-2) is a chemical compound with molecular formula C13H17ClN2O3 and molecular weight 284.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethyl-4-nitrosophenyl) N-(2-chloroethyl)-N-ethylcarbamate
Also Known As: TL 1076, butyl N-(2-chloroethyl)-N-nitrosocarbamate, CARBAMIC ACID, N-(2-CHLOROETHYL)-N-ETHYL-, 4-NITROSO-3,5-XYLYL ESTER, N- -N-ethylcarbamicacid4-nitroso-3,5-xylylester, Carbamic acid, 3,5-dimethyl-4-nitrosophenyl ester
| Molecular Formula | C13H17ClN2O3 |
|---|---|
| Molecular Weight | 284.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.09277 |
| Heavy Atoms | 19 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 63884-90-2 |
|---|---|
| SMILES | CCN(CCCl)C(=O)OC1=CC(=C(C(=C1)C)N=O)C |
| InChIKey | JPXXVPJIMCOOSD-UHFFFAOYSA-N |
Product Overview
Carbamic acid, N-(2-chloroethyl)-N-ethyl-, 4-nitroso-3,5-xylyl ester (CAS 63884-90-2), with molecular formula C13H17ClN2O3 and molecular weight 284.09 g/mol. IUPAC: (3,5-dimethyl-4-nitrosophenyl) N-(2-chloroethyl)-N-ethylcarbamate.
Chemical Property Profile of Carbamic acid, N-(2-chloroethyl)-N-ethyl-, 4-nitroso-3,5-xylyl ester
Property Insights of Carbamic acid, N-(2-chloroethyl)-N-ethyl-, 4-nitroso-3,5-xylyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, N-(2-chloroethyl)-N-ethyl-, 4-nitroso-3,5-xylyl ester. With a topological polar surface area (TPSA) of 59.0 Ų, Carbamic acid, N-(2-chloroethyl)-N-ethyl-, 4-nitroso-3,5-xylyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, N-(2-chloroethyl)-N-ethyl-, 4-nitroso-3,5-xylyl ester has 0 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 Carbamic acid, N-(2-chloroethyl)-N-ethyl-, 4-nitroso-3,5-xylyl ester?
The CAS number of Carbamic acid, N-(2-chloroethyl)-N-ethyl-, 4-nitroso-3,5-xylyl ester is 63884-90-2.
What is the molecular formula of Carbamic acid, N-(2-chloroethyl)-N-ethyl-, 4-nitroso-3,5-xylyl ester?
The molecular formula of Carbamic acid, N-(2-chloroethyl)-N-ethyl-, 4-nitroso-3,5-xylyl ester is C13H17ClN2O3.
What is the molecular weight of Carbamic acid, N-(2-chloroethyl)-N-ethyl-, 4-nitroso-3,5-xylyl ester?
The molecular weight of Carbamic acid, N-(2-chloroethyl)-N-ethyl-, 4-nitroso-3,5-xylyl ester is 284.09 g/mol.
Where can I buy Carbamic acid, N-(2-chloroethyl)-N-ethyl-, 4-nitroso-3,5-xylyl ester?
You can request a quote for Carbamic acid, N-(2-chloroethyl)-N-ethyl-, 4-nitroso-3,5-xylyl 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, N-(2-chloroethyl)-N-ethyl-, 4-nitroso-3,5-xylyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, N-(2-chloroethyl)-N-ethyl-, 4-nitroso-3,5-xylyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.