Methyl N-(1-chloropropan-2-ylideneamino)carbamate
TL;DR: Methyl N-(1-chloropropan-2-ylideneamino)carbamate (CAS 103517-77-7) is a chemical compound with molecular formula C5H9ClN2O2 and molecular weight 164.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(1-chloropropan-2-ylideneamino)carbamate
Also Known As: Methyl N-(1-chloropropan-2-ylideneamino)carbamate, 2'-amino-4-chlorobenzanilide, Methyl (2-chloro-1-methylethylidene)hydrazinecarboxylate, Methyl 2-(1-chloropropan-2-ylidene)hydrazine-1-carboxylate, Hydrazinecarboxylicacid, 2-(2-chloro-1-methylethylidene)-, methyl ester
| Molecular Formula | C5H9ClN2O2 |
|---|---|
| Molecular Weight | 164.04 g/mol |
| LogP | 0.9571 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.03525 |
| Heavy Atoms | 10 |
| Complexity | 146.58337 |
Chemical Identifiers
| CAS Number | 103517-77-7 |
|---|---|
| SMILES | CC(=NNC(=O)OC)CCl |
Product Overview
Methyl N-(1-chloropropan-2-ylideneamino)carbamate (CAS 103517-77-7), with molecular formula C5H9ClN2O2 and molecular weight 164.04 g/mol. IUPAC: methyl N-(1-chloropropan-2-ylideneamino)carbamate.
Chemical Property Profile of Methyl N-(1-chloropropan-2-ylideneamino)carbamate
Property Insights of Methyl N-(1-chloropropan-2-ylideneamino)carbamate
The XLogP value of 0.9571 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-(1-chloropropan-2-ylideneamino)carbamate. With a topological polar surface area (TPSA) of 50.69 Ų, Methyl N-(1-chloropropan-2-ylideneamino)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl N-(1-chloropropan-2-ylideneamino)carbamate has 1 hydrogen bond donor(s) and 3 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 Methyl N-(1-chloropropan-2-ylideneamino)carbamate?
The CAS number of Methyl N-(1-chloropropan-2-ylideneamino)carbamate is 103517-77-7.
What is the molecular formula of Methyl N-(1-chloropropan-2-ylideneamino)carbamate?
The molecular formula of Methyl N-(1-chloropropan-2-ylideneamino)carbamate is C5H9ClN2O2.
What is the molecular weight of Methyl N-(1-chloropropan-2-ylideneamino)carbamate?
The molecular weight of Methyl N-(1-chloropropan-2-ylideneamino)carbamate is 164.04 g/mol.
Where can I buy Methyl N-(1-chloropropan-2-ylideneamino)carbamate?
You can request a quote for Methyl N-(1-chloropropan-2-ylideneamino)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(1-chloropropan-2-ylideneamino)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(1-chloropropan-2-ylideneamino)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.