A-Chloro-I-valerylurea
TL;DR: A-Chloro-I-valerylurea (CAS 61345-66-2) is a chemical compound with molecular formula C6H11ClN2O2 and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-carbamoyl-2-chloro-3-methylbutanamide
Also Known As: Bromisoval Impurity 3, n-carbamoyl-2-chloro-3-methylbutanamide, 1-(2-Chloro-3-methylbutanoyl)urea, 1-(2-Chloroisovaleryl)urea, A-CHLORO-I-VALERYLUREA
| Molecular Formula | C6H11ClN2O2 |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.0509 |
| Heavy Atoms | 11 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 61345-66-2 |
|---|---|
| SMILES | CC(C)C(C(=O)NC(=O)N)Cl |
| InChIKey | MVPOUIVDKJJYLB-UHFFFAOYSA-N |
Product Overview
A-Chloro-I-valerylurea (CAS 61345-66-2), with molecular formula C6H11ClN2O2 and molecular weight 178.05 g/mol. IUPAC: N-carbamoyl-2-chloro-3-methylbutanamide.
Chemical Property Profile of A-Chloro-I-valerylurea
Property Insights of A-Chloro-I-valerylurea
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A-Chloro-I-valerylurea. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for A-Chloro-I-valerylurea. Following Lipinski's Rule of Five, A-Chloro-I-valerylurea has 2 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 A-Chloro-I-valerylurea?
The CAS number of A-Chloro-I-valerylurea is 61345-66-2.
What is the molecular formula of A-Chloro-I-valerylurea?
The molecular formula of A-Chloro-I-valerylurea is C6H11ClN2O2.
What is the molecular weight of A-Chloro-I-valerylurea?
The molecular weight of A-Chloro-I-valerylurea is 178.05 g/mol.
Where can I buy A-Chloro-I-valerylurea?
You can request a quote for A-Chloro-I-valerylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A-Chloro-I-valerylurea?
Yes, KEHONG BIO provides custom synthesis services for A-Chloro-I-valerylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.