ChemDiv1_018797
TL;DR: ChemDiv1_018797 (CAS 374548-93-3) is a chemical compound with molecular formula C17H16N4OS and molecular weight 324.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-9,1'-cyclopentane]-11-one
Also Known As: ChemDiv1_018797, DivK1c_003581, CDS1_002541, 6-Spiro-cyclopentane-8-mercapto-6,11-dihydro-5H-7a,9,10,11-tetraaza-cyclopenta[b]phenanthren-7-one, 9-mercapto-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one
| Molecular Formula | C17H16N4OS |
|---|---|
| Molecular Weight | 324.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 324.1045 |
| Heavy Atoms | 23 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 374548-93-3 |
|---|---|
| SMILES | C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N5C(=N4)NNC5=S |
| InChIKey | ABYJWFGJPGSJCN-UHFFFAOYSA-N |
Product Overview
ChemDiv1_018797 (CAS 374548-93-3), with molecular formula C17H16N4OS and molecular weight 324.10 g/mol. IUPAC: 13-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-9,1'-cyclopentane]-11-one.
Chemical Property Profile of ChemDiv1_018797
Property Insights of ChemDiv1_018797
The XLogP value of 3.1 indicates that ChemDiv1_018797 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_018797. Following Lipinski's Rule of Five, ChemDiv1_018797 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 ChemDiv1_018797?
The CAS number of ChemDiv1_018797 is 374548-93-3.
What is the molecular formula of ChemDiv1_018797?
The molecular formula of ChemDiv1_018797 is C17H16N4OS.
What is the molecular weight of ChemDiv1_018797?
The molecular weight of ChemDiv1_018797 is 324.10 g/mol.
Where can I buy ChemDiv1_018797?
You can request a quote for ChemDiv1_018797 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018797?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018797 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.