双(2-氯丙基)氨基甲酸乙酯
TL;DR: 双(2-氯丙基)氨基甲酸乙酯 (CAS 5580-27-8) is a chemical compound with molecular formula C9H17Cl2NO2 and molecular weight 241.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双(2-氯丙基)氨基甲酸乙酯
ethyl N,N-bis(2-chloropropyl)carbamate
Also Known As: Carbamic acid, ethyl ester, ethyl N,N-bis(2-chloropropyl)carbamate, Bis(2-chloropropyl)carbamic acid, ethyl ester, Ethyl bis(2-chloropropyl)carbamate, CARBAMIC ACID, BIS(2-CHLOROPROPYL)-, ETHYL ESTER
| Molecular Formula | C9H17Cl2NO2 |
|---|---|
| Molecular Weight | 241.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 241.06363 |
| Heavy Atoms | 14 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 5580-27-8 |
|---|---|
| SMILES | CCOC(=O)N(CC(C)Cl)CC(C)Cl |
| InChIKey | AMZPPCYQXDTKCJ-UHFFFAOYSA-N |
Product Overview
双(2-氯丙基)氨基甲酸乙酯 (CAS 5580-27-8), with molecular formula C9H17Cl2NO2 and molecular weight 241.06 g/mol. IUPAC: ethyl N,N-bis(2-chloropropyl)carbamate.
Chemical Property Profile of 双(2-氯丙基)氨基甲酸乙酯
Property Insights of 双(2-氯丙基)氨基甲酸乙酯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 双(2-氯丙基)氨基甲酸乙酯. With a topological polar surface area (TPSA) of 29.5 Ų, 双(2-氯丙基)氨基甲酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 双(2-氯丙基)氨基甲酸乙酯 has 0 hydrogen bond donor(s) and 2 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 双(2-氯丙基)氨基甲酸乙酯?
The CAS number of 双(2-氯丙基)氨基甲酸乙酯 is 5580-27-8.
What is the molecular formula of 双(2-氯丙基)氨基甲酸乙酯?
The molecular formula of 双(2-氯丙基)氨基甲酸乙酯 is C9H17Cl2NO2.
What is the molecular weight of 双(2-氯丙基)氨基甲酸乙酯?
The molecular weight of 双(2-氯丙基)氨基甲酸乙酯 is 241.06 g/mol.
Where can I buy 双(2-氯丙基)氨基甲酸乙酯?
You can request a quote for 双(2-氯丙基)氨基甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双(2-氯丙基)氨基甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 双(2-氯丙基)氨基甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.