A-Chloro-A-ethylbutanoylurea
TL;DR: A-Chloro-A-ethylbutanoylurea (CAS 61421-89-4) is a chemical compound with molecular formula C7H13ClN2O2 and molecular weight 192.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-carbamoyl-2-chloro-2-ethylbutanamide
Also Known As: 1-(2-Chloro-2-ethylbutanoyl)urea, n-carbamoyl-2-chloro-2-ethylbutanamide, (2-chloro-2-ethylbutanoyl)urea, A-CHLORO-A-ETHYLBUTANOYLUREA, N-(Aminocarbonyl)-2-chloro-2-ethylbutanamide
| Molecular Formula | C7H13ClN2O2 |
|---|---|
| Molecular Weight | 192.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.06656 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 61421-89-4 |
|---|---|
| SMILES | CCC(CC)(C(=O)NC(=O)N)Cl |
| InChIKey | ACIVXVCFXWJISJ-UHFFFAOYSA-N |
Product Overview
A-Chloro-A-ethylbutanoylurea (CAS 61421-89-4), with molecular formula C7H13ClN2O2 and molecular weight 192.07 g/mol. IUPAC: N-carbamoyl-2-chloro-2-ethylbutanamide.
Chemical Property Profile of A-Chloro-A-ethylbutanoylurea
Property Insights of A-Chloro-A-ethylbutanoylurea
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A-Chloro-A-ethylbutanoylurea. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for A-Chloro-A-ethylbutanoylurea. Following Lipinski's Rule of Five, A-Chloro-A-ethylbutanoylurea 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-A-ethylbutanoylurea?
The CAS number of A-Chloro-A-ethylbutanoylurea is 61421-89-4.
What is the molecular formula of A-Chloro-A-ethylbutanoylurea?
The molecular formula of A-Chloro-A-ethylbutanoylurea is C7H13ClN2O2.
What is the molecular weight of A-Chloro-A-ethylbutanoylurea?
The molecular weight of A-Chloro-A-ethylbutanoylurea is 192.07 g/mol.
Where can I buy A-Chloro-A-ethylbutanoylurea?
You can request a quote for A-Chloro-A-ethylbutanoylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A-Chloro-A-ethylbutanoylurea?
Yes, KEHONG BIO provides custom synthesis services for A-Chloro-A-ethylbutanoylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.