Carbamic acid, (4-(bis(2-chloroethyl)amino)phenyl)-, 1-methylethyl ester
TL;DR: Carbamic acid, (4-(bis(2-chloroethyl)amino)phenyl)-, 1-methylethyl ester (CAS 2045-44-5) is a chemical compound with molecular formula C14H20Cl2N2O2 and molecular weight 318.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N-[4-[bis(2-chloroethyl)amino]phenyl]carbamate
Also Known As: 3-fluoro-4-hydroxyacetanilide, Isopropyl p-(bis(2-chloroethyl)amino)carbanilate, CARBANILIC ACID, p-(BIS(2-CHLOROETHYL)AMINO)-, ISOPROPYL ESTER, propan-2-yl N-[4-[bis(2-chloroethyl)amino]phenyl]carbamate, p-[Bis(2-chloroethyl)amino]carbanilic acid isopropyl ester
| Molecular Formula | C14H20Cl2N2O2 |
|---|---|
| Molecular Weight | 318.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 318.09018 |
| Heavy Atoms | 20 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 2045-44-5 |
|---|---|
| SMILES | CC(C)OC(=O)NC1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | IJMUVZABOPSWCH-UHFFFAOYSA-N |
Product Overview
Carbamic acid, (4-(bis(2-chloroethyl)amino)phenyl)-, 1-methylethyl ester (CAS 2045-44-5), with molecular formula C14H20Cl2N2O2 and molecular weight 318.09 g/mol. IUPAC: propan-2-yl N-[4-[bis(2-chloroethyl)amino]phenyl]carbamate.
Chemical Property Profile of Carbamic acid, (4-(bis(2-chloroethyl)amino)phenyl)-, 1-methylethyl ester
Property Insights of Carbamic acid, (4-(bis(2-chloroethyl)amino)phenyl)-, 1-methylethyl ester
The XLogP value of 3.9 indicates that Carbamic acid, (4-(bis(2-chloroethyl)amino)phenyl)-, 1-methylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, Carbamic acid, (4-(bis(2-chloroethyl)amino)phenyl)-, 1-methylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (4-(bis(2-chloroethyl)amino)phenyl)-, 1-methylethyl ester has 1 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, (4-(bis(2-chloroethyl)amino)phenyl)-, 1-methylethyl ester?
The CAS number of Carbamic acid, (4-(bis(2-chloroethyl)amino)phenyl)-, 1-methylethyl ester is 2045-44-5.
What is the molecular formula of Carbamic acid, (4-(bis(2-chloroethyl)amino)phenyl)-, 1-methylethyl ester?
The molecular formula of Carbamic acid, (4-(bis(2-chloroethyl)amino)phenyl)-, 1-methylethyl ester is C14H20Cl2N2O2.
What is the molecular weight of Carbamic acid, (4-(bis(2-chloroethyl)amino)phenyl)-, 1-methylethyl ester?
The molecular weight of Carbamic acid, (4-(bis(2-chloroethyl)amino)phenyl)-, 1-methylethyl ester is 318.09 g/mol.
Where can I buy Carbamic acid, (4-(bis(2-chloroethyl)amino)phenyl)-, 1-methylethyl ester?
You can request a quote for Carbamic acid, (4-(bis(2-chloroethyl)amino)phenyl)-, 1-methylethyl 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, (4-(bis(2-chloroethyl)amino)phenyl)-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (4-(bis(2-chloroethyl)amino)phenyl)-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.