Carbamic acid, bis(2-chloroethyl)-, 4-nitroso-3,5-xylyl ester
TL;DR: Carbamic acid, bis(2-chloroethyl)-, 4-nitroso-3,5-xylyl ester (CAS 63884-83-3) is a chemical compound with molecular formula C13H16Cl2N2O3 and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethyl-4-nitrosophenyl) N,N-bis(2-chloroethyl)carbamate
Also Known As: Bis carbamicacid4-nitroso-3,5-xylylester, CARBAMIC ACID, BIS(2-CHLOROETHYL)-, 4-NITROSO-3,5-XYLYL ESTER, Carbamic acid, 3,5-dimethyl-4-nitrosophenyl ester, Carbamic acid, N,N-bis(2-chloroethyl)-, 3,5-dimethyl-4-nitrosophenyl ester, (3,5-dimethyl-4-nitrosophenyl) N,N-bis(2-chloroethyl)carbamate
| Molecular Formula | C13H16Cl2N2O3 |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.0538 |
| Heavy Atoms | 20 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 63884-83-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1N=O)C)OC(=O)N(CCCl)CCCl |
| InChIKey | FZFLXPZCRIPDIE-UHFFFAOYSA-N |
Product Overview
Carbamic acid, bis(2-chloroethyl)-, 4-nitroso-3,5-xylyl ester (CAS 63884-83-3), with molecular formula C13H16Cl2N2O3 and molecular weight 318.05 g/mol. IUPAC: (3,5-dimethyl-4-nitrosophenyl) N,N-bis(2-chloroethyl)carbamate.
Chemical Property Profile of Carbamic acid, bis(2-chloroethyl)-, 4-nitroso-3,5-xylyl ester
Property Insights of Carbamic acid, bis(2-chloroethyl)-, 4-nitroso-3,5-xylyl ester
The XLogP value of 3.0 indicates that Carbamic acid, bis(2-chloroethyl)-, 4-nitroso-3,5-xylyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, Carbamic acid, bis(2-chloroethyl)-, 4-nitroso-3,5-xylyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, bis(2-chloroethyl)-, 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, bis(2-chloroethyl)-, 4-nitroso-3,5-xylyl ester?
The CAS number of Carbamic acid, bis(2-chloroethyl)-, 4-nitroso-3,5-xylyl ester is 63884-83-3.
What is the molecular formula of Carbamic acid, bis(2-chloroethyl)-, 4-nitroso-3,5-xylyl ester?
The molecular formula of Carbamic acid, bis(2-chloroethyl)-, 4-nitroso-3,5-xylyl ester is C13H16Cl2N2O3.
What is the molecular weight of Carbamic acid, bis(2-chloroethyl)-, 4-nitroso-3,5-xylyl ester?
The molecular weight of Carbamic acid, bis(2-chloroethyl)-, 4-nitroso-3,5-xylyl ester is 318.05 g/mol.
Where can I buy Carbamic acid, bis(2-chloroethyl)-, 4-nitroso-3,5-xylyl ester?
You can request a quote for Carbamic acid, bis(2-chloroethyl)-, 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, bis(2-chloroethyl)-, 4-nitroso-3,5-xylyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, bis(2-chloroethyl)-, 4-nitroso-3,5-xylyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.