丙基氨基甲酸2-氯乙酯
TL;DR: 丙基氨基甲酸2-氯乙酯 (CAS 20074-88-8) is a chemical compound with molecular formula C6H12ClNO2 and molecular weight 165.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙基氨基甲酸2-氯乙酯
2-chloroethyl N-propylcarbamate
Also Known As: 2-chloroethyl N-propylcarbamate, Propylcarbamic acid 2-chloroethyl ester, 2-Chloroethyl propylcarbamate, CARBAMIC ACID, PROPYL-, 2-CHLOROETHYL ESTER, 4-04-00-00480 (Beilstein Handbook Reference)
| Molecular Formula | C6H12ClNO2 |
|---|---|
| Molecular Weight | 165.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 165.05565 |
| Heavy Atoms | 10 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 20074-88-8 |
|---|---|
| SMILES | CCCNC(=O)OCCCl |
| InChIKey | RWEFVPQWLOQTSN-UHFFFAOYSA-N |
Product Overview
丙基氨基甲酸2-氯乙酯 (CAS 20074-88-8), with molecular formula C6H12ClNO2 and molecular weight 165.06 g/mol. IUPAC: 2-chloroethyl N-propylcarbamate.
Chemical Property Profile of 丙基氨基甲酸2-氯乙酯
Property Insights of 丙基氨基甲酸2-氯乙酯
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙基氨基甲酸2-氯乙酯. With a topological polar surface area (TPSA) of 38.3 Ų, 丙基氨基甲酸2-氯乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙基氨基甲酸2-氯乙酯 has 1 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 丙基氨基甲酸2-氯乙酯?
The CAS number of 丙基氨基甲酸2-氯乙酯 is 20074-88-8.
What is the molecular formula of 丙基氨基甲酸2-氯乙酯?
The molecular formula of 丙基氨基甲酸2-氯乙酯 is C6H12ClNO2.
What is the molecular weight of 丙基氨基甲酸2-氯乙酯?
The molecular weight of 丙基氨基甲酸2-氯乙酯 is 165.06 g/mol.
Where can I buy 丙基氨基甲酸2-氯乙酯?
You can request a quote for 丙基氨基甲酸2-氯乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙基氨基甲酸2-氯乙酯?
Yes, KEHONG BIO provides custom synthesis services for 丙基氨基甲酸2-氯乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.