ChemDiv3_004916
TL;DR: ChemDiv3_004916 (CAS 606954-45-4) is a chemical compound with molecular formula C22H20N4O3S and molecular weight 420.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzenesulfonyl)-7-cyclopentyl-6-imino-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: ChemDiv3_004916, IDI1_022826, BRD-K53465625-001-01-9, 1-cyclopentyl-2-imino-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 1-cyclopentyl-2-imino-3-(phenylsulfonyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
| Molecular Formula | C22H20N4O3S |
|---|---|
| Molecular Weight | 420.13 g/mol |
| LogP | 3.07657 |
| Topological Polar Surface Area | 97.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.1256 |
| Heavy Atoms | 30 |
| Complexity | 1498.9816 |
Chemical Identifiers
| CAS Number | 606954-45-4 |
|---|---|
| SMILES | C1CCC(C1)N2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=CC=C4)C(=O)N5C=CC=CC5=N3 |
Product Overview
ChemDiv3_004916 (CAS 606954-45-4), with molecular formula C22H20N4O3S and molecular weight 420.13 g/mol. IUPAC: 5-(benzenesulfonyl)-7-cyclopentyl-6-imino-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of ChemDiv3_004916
Property Insights of ChemDiv3_004916
The XLogP value of 3.07657 indicates that ChemDiv3_004916 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004916. Following Lipinski's Rule of Five, ChemDiv3_004916 has 1 hydrogen bond donor(s) and 5 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 ChemDiv3_004916?
The CAS number of ChemDiv3_004916 is 606954-45-4.
What is the molecular formula of ChemDiv3_004916?
The molecular formula of ChemDiv3_004916 is C22H20N4O3S.
What is the molecular weight of ChemDiv3_004916?
The molecular weight of ChemDiv3_004916 is 420.13 g/mol.
Where can I buy ChemDiv3_004916?
You can request a quote for ChemDiv3_004916 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004916?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004916 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.