1-benzenesulfinyl-1-chloro-pentan-2-ol
TL;DR: 1-benzenesulfinyl-1-chloro-pentan-2-ol (CAS 6399-24-2) is a chemical compound with molecular formula C17H23N3O2 and molecular weight 301.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[C-methyl-N-(3-methylbutanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide
Also Known As: 1-benzenesulfinyl-1-chloro-pentan-2-ol, N-(3-{1-[2-(3-Methylbutanoyl)hydrazinylidene]ethyl}phenyl)cyclopropanecarboxamide, N-[3-[C-methyl-N-(3-methylbutanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide, Carbanilic acid,m,N-dimethylthio-, O-(a-p-tolyl-p-cumenyl) ester (7CI,8CI), N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-3-methyl-butanamide
| Molecular Formula | C17H23N3O2 |
|---|---|
| Molecular Weight | 301.18 g/mol |
| LogP | 2.9214 |
| Topological Polar Surface Area | 70.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.17902 |
| Heavy Atoms | 22 |
| Complexity | 589.3218 |
Chemical Identifiers
| CAS Number | 6399-24-2 |
|---|---|
| SMILES | CC(C)CC(=O)NN=C(C)C1=CC(=CC=C1)NC(=O)C2CC2 |
Product Overview
1-benzenesulfinyl-1-chloro-pentan-2-ol (CAS 6399-24-2), with molecular formula C17H23N3O2 and molecular weight 301.18 g/mol. IUPAC: N-[3-[C-methyl-N-(3-methylbutanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide.
Chemical Property Profile of 1-benzenesulfinyl-1-chloro-pentan-2-ol
Property Insights of 1-benzenesulfinyl-1-chloro-pentan-2-ol
The XLogP value of 2.9214 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzenesulfinyl-1-chloro-pentan-2-ol. The TPSA of 70.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzenesulfinyl-1-chloro-pentan-2-ol. Following Lipinski's Rule of Five, 1-benzenesulfinyl-1-chloro-pentan-2-ol has 2 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 1-benzenesulfinyl-1-chloro-pentan-2-ol?
The CAS number of 1-benzenesulfinyl-1-chloro-pentan-2-ol is 6399-24-2.
What is the molecular formula of 1-benzenesulfinyl-1-chloro-pentan-2-ol?
The molecular formula of 1-benzenesulfinyl-1-chloro-pentan-2-ol is C17H23N3O2.
What is the molecular weight of 1-benzenesulfinyl-1-chloro-pentan-2-ol?
The molecular weight of 1-benzenesulfinyl-1-chloro-pentan-2-ol is 301.18 g/mol.
Where can I buy 1-benzenesulfinyl-1-chloro-pentan-2-ol?
You can request a quote for 1-benzenesulfinyl-1-chloro-pentan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzenesulfinyl-1-chloro-pentan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-benzenesulfinyl-1-chloro-pentan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.