4-(benzenesulfonyl)-N-(3-chloroprop-2-enoxy)butan-2-imine
TL;DR: 4-(benzenesulfonyl)-N-(3-chloroprop-2-enoxy)butan-2-imine (CAS 306979-47-5) is a chemical compound with molecular formula C13H16ClNO3S and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonyl)-N-(3-chloroprop-2-enoxy)butan-2-imine
Also Known As: 4-(benzenesulfonyl)-N-(3-chloroprop-2-enoxy)butan-2-imine, 4-(phenylsulfonyl)-2-butanone O-(3-chloro-2-propenyl)oxime
| Molecular Formula | C13H16ClNO3S |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 2.9954 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 301.05396 |
| Heavy Atoms | 19 |
| Complexity | 538.2666 |
Chemical Identifiers
| CAS Number | 306979-47-5 |
|---|---|
| SMILES | CC(=NOCC=CCl)CCS(=O)(=O)C1=CC=CC=C1 |
Product Overview
4-(benzenesulfonyl)-N-(3-chloroprop-2-enoxy)butan-2-imine (CAS 306979-47-5), with molecular formula C13H16ClNO3S and molecular weight 301.05 g/mol. IUPAC: 4-(benzenesulfonyl)-N-(3-chloroprop-2-enoxy)butan-2-imine.
Chemical Property Profile of 4-(benzenesulfonyl)-N-(3-chloroprop-2-enoxy)butan-2-imine
Property Insights of 4-(benzenesulfonyl)-N-(3-chloroprop-2-enoxy)butan-2-imine
The XLogP value of 2.9954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(benzenesulfonyl)-N-(3-chloroprop-2-enoxy)butan-2-imine. With a topological polar surface area (TPSA) of 55.73 Ų, 4-(benzenesulfonyl)-N-(3-chloroprop-2-enoxy)butan-2-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(benzenesulfonyl)-N-(3-chloroprop-2-enoxy)butan-2-imine has 0 hydrogen bond donor(s) and 4 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 4-(benzenesulfonyl)-N-(3-chloroprop-2-enoxy)butan-2-imine?
The CAS number of 4-(benzenesulfonyl)-N-(3-chloroprop-2-enoxy)butan-2-imine is 306979-47-5.
What is the molecular formula of 4-(benzenesulfonyl)-N-(3-chloroprop-2-enoxy)butan-2-imine?
The molecular formula of 4-(benzenesulfonyl)-N-(3-chloroprop-2-enoxy)butan-2-imine is C13H16ClNO3S.
What is the molecular weight of 4-(benzenesulfonyl)-N-(3-chloroprop-2-enoxy)butan-2-imine?
The molecular weight of 4-(benzenesulfonyl)-N-(3-chloroprop-2-enoxy)butan-2-imine is 301.05 g/mol.
Where can I buy 4-(benzenesulfonyl)-N-(3-chloroprop-2-enoxy)butan-2-imine?
You can request a quote for 4-(benzenesulfonyl)-N-(3-chloroprop-2-enoxy)butan-2-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(benzenesulfonyl)-N-(3-chloroprop-2-enoxy)butan-2-imine?
Yes, KEHONG BIO provides custom synthesis services for 4-(benzenesulfonyl)-N-(3-chloroprop-2-enoxy)butan-2-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.