Bis(2-chloroethyl)carbamoyl chloride
TL;DR: Bis(2-chloroethyl)carbamoyl chloride (CAS 2998-56-3) is a chemical compound with molecular formula C5H8Cl3NO and molecular weight 202.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)carbamoyl chloride
Also Known As: N,N-Bis(2-chloroethyl)carbamoyl Chloride, Bis(2-chloroethyl)carbamic chloride, Bis(2-chloroethyl)carbamoyl chloride, Carbamic chloride, bis(2-chloroethyl)-, 2-Aminonicotinic acid hydrazide
| Molecular Formula | C5H8Cl3NO |
|---|---|
| Molecular Weight | 202.97 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 202.96715 |
| Heavy Atoms | 10 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 2998-56-3 |
|---|---|
| SMILES | C(CCl)N(CCCl)C(=O)Cl |
| InChIKey | JAHXVUPWHXMPLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(2-chloroethyl)carbamoyl chloride (CAS 2998-56-3), with molecular formula C5H8Cl3NO and molecular weight 202.97 g/mol. IUPAC: N,N-bis(2-chloroethyl)carbamoyl chloride.
Chemical Property Profile of Bis(2-chloroethyl)carbamoyl chloride
Property Insights of Bis(2-chloroethyl)carbamoyl chloride
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2-chloroethyl)carbamoyl chloride. With a topological polar surface area (TPSA) of 20.3 Ų, Bis(2-chloroethyl)carbamoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2-chloroethyl)carbamoyl chloride has 0 hydrogen bond donor(s) and 1 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 Bis(2-chloroethyl)carbamoyl chloride?
The CAS number of Bis(2-chloroethyl)carbamoyl chloride is 2998-56-3.
What is the molecular formula of Bis(2-chloroethyl)carbamoyl chloride?
The molecular formula of Bis(2-chloroethyl)carbamoyl chloride is C5H8Cl3NO.
What is the molecular weight of Bis(2-chloroethyl)carbamoyl chloride?
The molecular weight of Bis(2-chloroethyl)carbamoyl chloride is 202.97 g/mol.
Where can I buy Bis(2-chloroethyl)carbamoyl chloride?
You can request a quote for Bis(2-chloroethyl)carbamoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-chloroethyl)carbamoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-chloroethyl)carbamoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.