ChemDiv3_004872
TL;DR: ChemDiv3_004872 (CAS 500144-41-2) is a chemical compound with molecular formula C19H16N4O3S and molecular weight 380.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzenesulfonyl)-7-ethyl-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_004872, Salor-int l442062-1ea, BAS 06260485, IDI1_022782, 1-Ethyl-2-imino-3-(phenylsulfonyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
| Molecular Formula | C19H16N4O3S |
|---|---|
| Molecular Weight | 380.09 g/mol |
| LogP | 1.98137 |
| Topological Polar Surface Area | 97.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.0943 |
| Heavy Atoms | 27 |
| Complexity | 1404.363 |
Chemical Identifiers
| CAS Number | 500144-41-2 |
|---|---|
| SMILES | CCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=CC=C3)C(=O)N4C=CC=CC4=N2 |
Product Overview
ChemDiv3_004872 (CAS 500144-41-2), with molecular formula C19H16N4O3S and molecular weight 380.09 g/mol. IUPAC: 5-(benzenesulfonyl)-7-ethyl-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_004872
Property Insights of ChemDiv3_004872
The XLogP value of 1.98137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004872. The TPSA of 97.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004872. Following Lipinski's Rule of Five, ChemDiv3_004872 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_004872?
The CAS number of ChemDiv3_004872 is 500144-41-2.
What is the molecular formula of ChemDiv3_004872?
The molecular formula of ChemDiv3_004872 is C19H16N4O3S.
What is the molecular weight of ChemDiv3_004872?
The molecular weight of ChemDiv3_004872 is 380.09 g/mol.
Where can I buy ChemDiv3_004872?
You can request a quote for ChemDiv3_004872 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004872?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.