Benzyl hydrogen bis(2-chloroethyl)carbonohydrazonate
TL;DR: Benzyl hydrogen bis(2-chloroethyl)carbonohydrazonate (CAS 77944-94-6) 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.
benzyl N-[bis(2-chloroethyl)amino]carbamate
Also Known As: Benzyl 3,3-bis(2-chloroethyl)carbazate, benzyl N-[bis(2-chloroethyl)amino]carbamate, Benzyl hydrogen bis(2-chloroethyl)carbonohydrazonate, 3,3-Bis(2-chloroethyl)carbazic acid benzyl ester, CARBAZIC ACID, 3,3-BIS(2-CHLOROETHYL)-, BENZYL ESTER
| Molecular Formula | C12H16Cl2N2O2 |
|---|---|
| Molecular Weight | 290.06 g/mol |
| LogP | 2.9 |
| 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 | 77944-94-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NN(CCCl)CCCl |
| InChIKey | AMCBHTOBHPXRIG-UHFFFAOYSA-N |
Product Overview
Benzyl hydrogen bis(2-chloroethyl)carbonohydrazonate (CAS 77944-94-6), with molecular formula C12H16Cl2N2O2 and molecular weight 290.06 g/mol. IUPAC: benzyl N-[bis(2-chloroethyl)amino]carbamate.
Chemical Property Profile of Benzyl hydrogen bis(2-chloroethyl)carbonohydrazonate
Property Insights of Benzyl hydrogen bis(2-chloroethyl)carbonohydrazonate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl hydrogen bis(2-chloroethyl)carbonohydrazonate. With a topological polar surface area (TPSA) of 41.6 Ų, Benzyl hydrogen bis(2-chloroethyl)carbonohydrazonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl hydrogen bis(2-chloroethyl)carbonohydrazonate 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 Benzyl hydrogen bis(2-chloroethyl)carbonohydrazonate?
The CAS number of Benzyl hydrogen bis(2-chloroethyl)carbonohydrazonate is 77944-94-6.
What is the molecular formula of Benzyl hydrogen bis(2-chloroethyl)carbonohydrazonate?
The molecular formula of Benzyl hydrogen bis(2-chloroethyl)carbonohydrazonate is C12H16Cl2N2O2.
What is the molecular weight of Benzyl hydrogen bis(2-chloroethyl)carbonohydrazonate?
The molecular weight of Benzyl hydrogen bis(2-chloroethyl)carbonohydrazonate is 290.06 g/mol.
Where can I buy Benzyl hydrogen bis(2-chloroethyl)carbonohydrazonate?
You can request a quote for Benzyl hydrogen bis(2-chloroethyl)carbonohydrazonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl hydrogen bis(2-chloroethyl)carbonohydrazonate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl hydrogen bis(2-chloroethyl)carbonohydrazonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.