n-Butylsulfonimidocyclohexamethylene
TL;DR: n-Butylsulfonimidocyclohexamethylene (CAS 14674-01-2) is a chemical compound with molecular formula C10H21NO2S and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butylsulfonylazepane
Also Known As: 1-butylsulfonylazepane, Hexamethylene butanesulfonamide, n-Butylsulfonimidocyclohexamethylene, 1H-Azepine, 1-(butylsulfonyl)hexahydro-, 1-(BUTANE-1-SULFONYL)AZEPANE
| Molecular Formula | C10H21NO2S |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.1293 |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 14674-01-2 |
|---|---|
| SMILES | CCCCS(=O)(=O)N1CCCCCC1 |
| InChIKey | OJTJIYMTGJBBSE-UHFFFAOYSA-N |
Product Overview
n-Butylsulfonimidocyclohexamethylene (CAS 14674-01-2), with molecular formula C10H21NO2S and molecular weight 219.13 g/mol. IUPAC: 1-butylsulfonylazepane.
Chemical Property Profile of n-Butylsulfonimidocyclohexamethylene
Property Insights of n-Butylsulfonimidocyclohexamethylene
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Butylsulfonimidocyclohexamethylene. With a topological polar surface area (TPSA) of 45.8 Ų, n-Butylsulfonimidocyclohexamethylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Butylsulfonimidocyclohexamethylene has 0 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 n-Butylsulfonimidocyclohexamethylene?
The CAS number of n-Butylsulfonimidocyclohexamethylene is 14674-01-2.
What is the molecular formula of n-Butylsulfonimidocyclohexamethylene?
The molecular formula of n-Butylsulfonimidocyclohexamethylene is C10H21NO2S.
What is the molecular weight of n-Butylsulfonimidocyclohexamethylene?
The molecular weight of n-Butylsulfonimidocyclohexamethylene is 219.13 g/mol.
Where can I buy n-Butylsulfonimidocyclohexamethylene?
You can request a quote for n-Butylsulfonimidocyclohexamethylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Butylsulfonimidocyclohexamethylene?
Yes, KEHONG BIO provides custom synthesis services for n-Butylsulfonimidocyclohexamethylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.