Carbazic acid, 3,3-bis(2-chloroethyl)-, ethyl ester
TL;DR: Carbazic acid, 3,3-bis(2-chloroethyl)-, ethyl ester (CAS 77944-95-7) is a chemical compound with molecular formula C7H14Cl2N2O2 and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[bis(2-chloroethyl)amino]carbamate
Also Known As: Ethyl 3,3-bis(2-chloroethyl)carbazate, 3,3-Bis(2-chloroethyl)carbazic acid ethyl ester, ethyl N-[bis(2-chloroethyl)amino]carbamate, 1-Ethoxycarbonyl-2,2-bis(2-chloroethyl)hydrazine, CARBAZIC ACID, 3,3-BIS(2-CHLOROETHYL)-, ETHYL ESTER
| Molecular Formula | C7H14Cl2N2O2 |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 228.04323 |
| Heavy Atoms | 13 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 77944-95-7 |
|---|---|
| SMILES | CCOC(=O)NN(CCCl)CCCl |
| InChIKey | SPENQMHGOSGLRT-UHFFFAOYSA-N |
Product Overview
Carbazic acid, 3,3-bis(2-chloroethyl)-, ethyl ester (CAS 77944-95-7), with molecular formula C7H14Cl2N2O2 and molecular weight 228.04 g/mol. IUPAC: ethyl N-[bis(2-chloroethyl)amino]carbamate.
Chemical Property Profile of Carbazic acid, 3,3-bis(2-chloroethyl)-, ethyl ester
Property Insights of Carbazic acid, 3,3-bis(2-chloroethyl)-, ethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbazic acid, 3,3-bis(2-chloroethyl)-, ethyl ester. With a topological polar surface area (TPSA) of 41.6 Ų, Carbazic acid, 3,3-bis(2-chloroethyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbazic acid, 3,3-bis(2-chloroethyl)-, ethyl 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 Carbazic acid, 3,3-bis(2-chloroethyl)-, ethyl ester?
The CAS number of Carbazic acid, 3,3-bis(2-chloroethyl)-, ethyl ester is 77944-95-7.
What is the molecular formula of Carbazic acid, 3,3-bis(2-chloroethyl)-, ethyl ester?
The molecular formula of Carbazic acid, 3,3-bis(2-chloroethyl)-, ethyl ester is C7H14Cl2N2O2.
What is the molecular weight of Carbazic acid, 3,3-bis(2-chloroethyl)-, ethyl ester?
The molecular weight of Carbazic acid, 3,3-bis(2-chloroethyl)-, ethyl ester is 228.04 g/mol.
Where can I buy Carbazic acid, 3,3-bis(2-chloroethyl)-, ethyl ester?
You can request a quote for Carbazic acid, 3,3-bis(2-chloroethyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbazic acid, 3,3-bis(2-chloroethyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbazic acid, 3,3-bis(2-chloroethyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.