Carbazic acid, 3,3-bis(2-chloroethyl)-, phenyl ester
TL;DR: Carbazic acid, 3,3-bis(2-chloroethyl)-, phenyl ester (CAS 77944-96-8) is a chemical compound with molecular formula C11H14Cl2N2O2 and molecular weight 276.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl N-[bis(2-chloroethyl)amino]carbamate
Also Known As: Phenyl 3,3-bis(2-chloroethyl)carbazate, CARBAZIC ACID, 3,3-BIS(2-CHLOROETHYL)-, PHENYL ESTER, phenyl N-[bis(2-chloroethyl)amino]carbamate, N(sup 2),N(sup 2)-Bis(2-chloraethyl)carbophenoxyhydrazid, N(sup 2),N(sup 2)-Bis(2-chloraethyl)carbophenoxyhydrazid [German]
| Molecular Formula | C11H14Cl2N2O2 |
|---|---|
| Molecular Weight | 276.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 276.04324 |
| Heavy Atoms | 17 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 77944-96-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)NN(CCCl)CCCl |
| InChIKey | QAWDBMWQDJXZLR-UHFFFAOYSA-N |
Product Overview
Carbazic acid, 3,3-bis(2-chloroethyl)-, phenyl ester (CAS 77944-96-8), with molecular formula C11H14Cl2N2O2 and molecular weight 276.04 g/mol. IUPAC: phenyl N-[bis(2-chloroethyl)amino]carbamate.
Chemical Property Profile of Carbazic acid, 3,3-bis(2-chloroethyl)-, phenyl ester
Property Insights of Carbazic acid, 3,3-bis(2-chloroethyl)-, phenyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbazic acid, 3,3-bis(2-chloroethyl)-, phenyl ester. With a topological polar surface area (TPSA) of 41.6 Ų, Carbazic acid, 3,3-bis(2-chloroethyl)-, phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbazic acid, 3,3-bis(2-chloroethyl)-, 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 Carbazic acid, 3,3-bis(2-chloroethyl)-, phenyl ester?
The CAS number of Carbazic acid, 3,3-bis(2-chloroethyl)-, phenyl ester is 77944-96-8.
What is the molecular formula of Carbazic acid, 3,3-bis(2-chloroethyl)-, phenyl ester?
The molecular formula of Carbazic acid, 3,3-bis(2-chloroethyl)-, phenyl ester is C11H14Cl2N2O2.
What is the molecular weight of Carbazic acid, 3,3-bis(2-chloroethyl)-, phenyl ester?
The molecular weight of Carbazic acid, 3,3-bis(2-chloroethyl)-, phenyl ester is 276.04 g/mol.
Where can I buy Carbazic acid, 3,3-bis(2-chloroethyl)-, phenyl ester?
You can request a quote for Carbazic acid, 3,3-bis(2-chloroethyl)-, phenyl 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)-, phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbazic acid, 3,3-bis(2-chloroethyl)-, phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.