α-(氯甲基)苯乙基氨基甲酸酯
TL;DR: α-(氯甲基)苯乙基氨基甲酸酯 (CAS 60634-63-1) is a chemical compound with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-(氯甲基)苯乙基氨基甲酸酯
(1-chloro-3-phenylpropan-2-yl) carbamate
Also Known As: alpha-(Chloromethyl)phenethyl carbamate, MH 1600, 1-chloro-3-phenylpropan-2-yl carbamate, (1-chloro-3-phenylpropan-2-yl) carbamate, alpha-(Chloromethyl)phenethyl=carbamate
| Molecular Formula | C10H12ClNO2 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 213.05565 |
| Heavy Atoms | 14 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 60634-63-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(CCl)OC(=O)N |
| InChIKey | FIVDTHQNVVFVLG-UHFFFAOYSA-N |
Product Overview
α-(氯甲基)苯乙基氨基甲酸酯 (CAS 60634-63-1), with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol. IUPAC: (1-chloro-3-phenylpropan-2-yl) carbamate.
Chemical Property Profile of α-(氯甲基)苯乙基氨基甲酸酯
Property Insights of α-(氯甲基)苯乙基氨基甲酸酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α-(氯甲基)苯乙基氨基甲酸酯. With a topological polar surface area (TPSA) of 52.3 Ų, α-(氯甲基)苯乙基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-(氯甲基)苯乙基氨基甲酸酯 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 α-(氯甲基)苯乙基氨基甲酸酯?
The CAS number of α-(氯甲基)苯乙基氨基甲酸酯 is 60634-63-1.
What is the molecular formula of α-(氯甲基)苯乙基氨基甲酸酯?
The molecular formula of α-(氯甲基)苯乙基氨基甲酸酯 is C10H12ClNO2.
What is the molecular weight of α-(氯甲基)苯乙基氨基甲酸酯?
The molecular weight of α-(氯甲基)苯乙基氨基甲酸酯 is 213.06 g/mol.
Where can I buy α-(氯甲基)苯乙基氨基甲酸酯?
You can request a quote for α-(氯甲基)苯乙基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-(氯甲基)苯乙基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for α-(氯甲基)苯乙基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.