2,2-二氯乙基氨基甲酸甲酯
TL;DR: 2,2-二氯乙基氨基甲酸甲酯 (CAS 67049-76-7) is a chemical compound with molecular formula C4H7Cl2NO2 and molecular weight 170.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-二氯乙基氨基甲酸甲酯
methyl N-(2,2-dichloroethyl)carbamate
Also Known As: 2,2-Dichloroethylcarbamic acid methyl ester, methyl N-(2,2-dichloroethyl)carbamate, CARBAMIC ACID, 2,2-DICHLOROETHYL-, METHYL ESTER, 2-04-00-00618 (Beilstein Handbook Reference), Methyl hydrogen (2,2-dichloroethyl)carbonimidate
| Molecular Formula | C4H7Cl2NO2 |
|---|---|
| Molecular Weight | 170.99 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.98538 |
| Heavy Atoms | 9 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 67049-76-7 |
|---|---|
| SMILES | COC(=O)NCC(Cl)Cl |
| InChIKey | UXQJWCPILRWLLL-UHFFFAOYSA-N |
Product Overview
2,2-二氯乙基氨基甲酸甲酯 (CAS 67049-76-7), with molecular formula C4H7Cl2NO2 and molecular weight 170.99 g/mol. IUPAC: methyl N-(2,2-dichloroethyl)carbamate.
Chemical Property Profile of 2,2-二氯乙基氨基甲酸甲酯
Property Insights of 2,2-二氯乙基氨基甲酸甲酯
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-二氯乙基氨基甲酸甲酯. With a topological polar surface area (TPSA) of 38.3 Ų, 2,2-二氯乙基氨基甲酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-二氯乙基氨基甲酸甲酯 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 2,2-二氯乙基氨基甲酸甲酯?
The CAS number of 2,2-二氯乙基氨基甲酸甲酯 is 67049-76-7.
What is the molecular formula of 2,2-二氯乙基氨基甲酸甲酯?
The molecular formula of 2,2-二氯乙基氨基甲酸甲酯 is C4H7Cl2NO2.
What is the molecular weight of 2,2-二氯乙基氨基甲酸甲酯?
The molecular weight of 2,2-二氯乙基氨基甲酸甲酯 is 170.99 g/mol.
Where can I buy 2,2-二氯乙基氨基甲酸甲酯?
You can request a quote for 2,2-二氯乙基氨基甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-二氯乙基氨基甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二氯乙基氨基甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.