Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, phenyl ester
TL;DR: Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, phenyl ester (CAS 58050-47-8) is a chemical compound with molecular formula C12H16Cl2N2O2 and molecular weight 290.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl N-[bis(2-chloroethyl)aminomethyl]carbamate
Also Known As: Phenyl bis(2-chloroethyl)aminomethylcarbamate, N-(Bis-(2-chloraethyl)aminomethyl)phenylurethan, N-(Bis-(2-chloraethyl)aminomethyl)phenylurethan [German], CARBAMIC ACID, N-BIS(2-CHLOROETHYL)AMINOMETHYL-, PHENYL ESTER, phenyl N-[bis(2-chloroethyl)aminomethyl]carbamate
| Molecular Formula | C12H16Cl2N2O2 |
|---|---|
| Molecular Weight | 290.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 290.05887 |
| Heavy Atoms | 18 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 58050-47-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)NCN(CCCl)CCCl |
| InChIKey | KWFCOVFVHYDAFG-UHFFFAOYSA-N |
Product Overview
Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, phenyl ester (CAS 58050-47-8), with molecular formula C12H16Cl2N2O2 and molecular weight 290.06 g/mol. IUPAC: phenyl N-[bis(2-chloroethyl)aminomethyl]carbamate.
Chemical Property Profile of Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, phenyl ester
Property Insights of Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, phenyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, phenyl ester. With a topological polar surface area (TPSA) of 41.6 Ų, Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, phenyl 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, N-bis(2-chloroethyl)aminomethyl-, phenyl ester?
The CAS number of Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, phenyl ester is 58050-47-8.
What is the molecular formula of Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, phenyl ester?
The molecular formula of Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, phenyl ester is C12H16Cl2N2O2.
What is the molecular weight of Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, phenyl ester?
The molecular weight of Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, phenyl ester is 290.06 g/mol.
Where can I buy Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, phenyl ester?
You can request a quote for Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, phenyl 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-bis(2-chloroethyl)aminomethyl-, phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.