BAS 00635107
TL;DR: BAS 00635107 (CAS 211613-59-1) is a chemical compound with molecular formula C19H26N2OS and molecular weight 330.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile
Also Known As: BAS 00635107, NCI60_038238, 2-ethylsulfanyl-7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile, 2'-(ethylsulfanyl)-7',7'-dimethyl-5'-oxo-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,4'-quinoline]-3'-carbonitrile, 2'-(ethylthio)-7',7'-dimethyl-5'-oxo-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,4'-quinoline]-3'-carbonitrile
| Molecular Formula | C19H26N2OS |
|---|---|
| Molecular Weight | 330.18 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.17657 |
| Heavy Atoms | 23 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 211613-59-1 |
|---|---|
| SMILES | CCSC1=C(C2(CCCCC2)C3=C(N1)CC(CC3=O)(C)C)C#N |
| InChIKey | GHHBOEVYGHHKAY-UHFFFAOYSA-N |
Product Overview
BAS 00635107 (CAS 211613-59-1), with molecular formula C19H26N2OS and molecular weight 330.18 g/mol. IUPAC: 2-ethylsulfanyl-7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile.
Chemical Property Profile of BAS 00635107
Property Insights of BAS 00635107
The XLogP value of 4.7 indicates that BAS 00635107 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00635107. Following Lipinski's Rule of Five, BAS 00635107 has 1 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 00635107?
The CAS number of BAS 00635107 is 211613-59-1.
What is the molecular formula of BAS 00635107?
The molecular formula of BAS 00635107 is C19H26N2OS.
What is the molecular weight of BAS 00635107?
The molecular weight of BAS 00635107 is 330.18 g/mol.
Where can I buy BAS 00635107?
You can request a quote for BAS 00635107 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00635107?
Yes, KEHONG BIO provides custom synthesis services for BAS 00635107 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.