Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isobutyl ester
TL;DR: Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isobutyl ester (CAS 58050-45-6) is a chemical compound with molecular formula C10H20Cl2N2O2 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl N-[bis(2-chloroethyl)aminomethyl]carbamate
Also Known As: Isobutyl bis(2-chloroethyl)aminomethylcarbamate, N-Bis-(2-chloraethyl)aminomethylisobutylurethan, N-Bis-(2-chloraethyl)aminomethylisobutylurethan [German], CARBAMIC ACID, N-BIS(2-CHLOROETHYL)AMINOMETHYL-, ISOBUTYL ESTER, 2-methylpropyl N-[bis(2-chloroethyl)aminomethyl]carbamate
| Molecular Formula | C10H20Cl2N2O2 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 270.09018 |
| Heavy Atoms | 16 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 58050-45-6 |
|---|---|
| SMILES | CC(C)COC(=O)NCN(CCCl)CCCl |
| InChIKey | KEHUEHBDDVSZAO-UHFFFAOYSA-N |
Product Overview
Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isobutyl ester (CAS 58050-45-6), with molecular formula C10H20Cl2N2O2 and molecular weight 270.09 g/mol. IUPAC: 2-methylpropyl N-[bis(2-chloroethyl)aminomethyl]carbamate.
Chemical Property Profile of Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isobutyl ester
Property Insights of Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isobutyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isobutyl ester. With a topological polar surface area (TPSA) of 41.6 Ų, Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isobutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isobutyl 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-, isobutyl ester?
The CAS number of Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isobutyl ester is 58050-45-6.
What is the molecular formula of Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isobutyl ester?
The molecular formula of Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isobutyl ester is C10H20Cl2N2O2.
What is the molecular weight of Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isobutyl ester?
The molecular weight of Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isobutyl ester is 270.09 g/mol.
Where can I buy Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isobutyl ester?
You can request a quote for Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isobutyl 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-, isobutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, N-bis(2-chloroethyl)aminomethyl-, isobutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.