RefChem:436548
TL;DR: RefChem:436548 (CAS 606964-71-0) is a chemical compound with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzenesulfonyl)-7-butan-2-yl-6-imino-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: SALOR-INT L423459-1EA, BAS 06260927, 1-(sec-Butyl)-2-imino-3-(phenylsulfonyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 1-SEC-BUTYL-2-IMINO-3-(PHENYLSULFONYL)-1,2-DIHYDRO-5H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-5-ONE, 1-(butan-2-yl)-2-imino-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
| Molecular Formula | C21H20N4O3S |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 2.93247 |
| Topological Polar Surface Area | 97.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.1256 |
| Heavy Atoms | 29 |
| Complexity | 1454.8152 |
Chemical Identifiers
| CAS Number | 606964-71-0 |
|---|---|
| SMILES | CCC(C)N1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=CC=C3)C(=O)N4C=CC=CC4=N2 |
Product Overview
RefChem:436548 (CAS 606964-71-0), with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol. IUPAC: 5-(benzenesulfonyl)-7-butan-2-yl-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 RefChem:436548
Property Insights of RefChem:436548
The XLogP value of 2.93247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:436548. The TPSA of 97.29 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:436548. Following Lipinski's Rule of Five, RefChem:436548 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 RefChem:436548?
The CAS number of RefChem:436548 is 606964-71-0.
What is the molecular formula of RefChem:436548?
The molecular formula of RefChem:436548 is C21H20N4O3S.
What is the molecular weight of RefChem:436548?
The molecular weight of RefChem:436548 is 408.13 g/mol.
Where can I buy RefChem:436548?
You can request a quote for RefChem:436548 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:436548?
Yes, KEHONG BIO provides custom synthesis services for RefChem:436548 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.