BAS 09637074
TL;DR: BAS 09637074 (CAS 791786-48-6) is a chemical compound with molecular formula C16H16ClN3OS and molecular weight 333.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-2-oxo-4-sulfanyl-1,5-diazaspiro[5.5]undec-3-ene-3-carbonitrile
Also Known As: BAS 09637074, 1-(4-chlorophenyl)-4-oxo-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile, 5-(4-chlorophenyl)-2-oxo-4-sulfanyl-1,5-diazaspiro[5.5]undec-3-ene-3-carbonitrile, 1-(4-Chloro-phenyl)-2-mercapto-4-oxo-1,5-diaza-spiro[5.5]undec-2-ene-3-carbonitrile, 1-(4-chlorophenyl)-4-oxo-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitr ile
| Molecular Formula | C16H16ClN3OS |
|---|---|
| Molecular Weight | 333.07 g/mol |
| LogP | 3.60158 |
| Topological Polar Surface Area | 56.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 333.07025 |
| Heavy Atoms | 22 |
| Complexity | 671.62646 |
Chemical Identifiers
| CAS Number | 791786-48-6 |
|---|---|
| SMILES | C1CCC2(CC1)NC(=O)C(=C(N2C3=CC=C(C=C3)Cl)S)C#N |
Product Overview
BAS 09637074 (CAS 791786-48-6), with molecular formula C16H16ClN3OS and molecular weight 333.07 g/mol. IUPAC: 5-(4-chlorophenyl)-2-oxo-4-sulfanyl-1,5-diazaspiro[5.5]undec-3-ene-3-carbonitrile.
Chemical Property Profile of BAS 09637074
Property Insights of BAS 09637074
The XLogP value of 3.60158 indicates that BAS 09637074 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.13 Ų, BAS 09637074 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 09637074 has 2 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 BAS 09637074?
The CAS number of BAS 09637074 is 791786-48-6.
What is the molecular formula of BAS 09637074?
The molecular formula of BAS 09637074 is C16H16ClN3OS.
What is the molecular weight of BAS 09637074?
The molecular weight of BAS 09637074 is 333.07 g/mol.
Where can I buy BAS 09637074?
You can request a quote for BAS 09637074 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09637074?
Yes, KEHONG BIO provides custom synthesis services for BAS 09637074 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.