RefChem:429074
TL;DR: RefChem:429074 (CAS 489464-54-2) is a chemical compound with molecular formula C20H16N4O3S and molecular weight 392.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzenesulfonyl)-6-imino-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: BAS 06260491, 1-Allyl-2-imino-3-(phenylsulfonyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 1-ALLYL-2-IMINO-3-(PHENYLSULFONYL)-1,2-DIHYDRO-5H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-5-ONE, 1-Allyl-3-benzenesulfonyl-2-imino-1,2-dihydro-1,9,10a-triaza-anthracen-10-one, 1-ALLYL-2-IMINO-3-(PHENYLSULFONYL)-1,2-DIHYDRO-5H-DIPYRIDO(1,2-A:2,3-D)PYRIMIDIN-5-ONE
| Molecular Formula | C20H16N4O3S |
|---|---|
| Molecular Weight | 392.09 g/mol |
| LogP | 2.14747 |
| Topological Polar Surface Area | 97.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.0943 |
| Heavy Atoms | 28 |
| Complexity | 1452.3397 |
Chemical Identifiers
| CAS Number | 489464-54-2 |
|---|---|
| SMILES | C=CCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=CC=C3)C(=O)N4C=CC=CC4=N2 |
Product Overview
RefChem:429074 (CAS 489464-54-2), with molecular formula C20H16N4O3S and molecular weight 392.09 g/mol. IUPAC: 5-(benzenesulfonyl)-6-imino-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of RefChem:429074
Property Insights of RefChem:429074
The XLogP value of 2.14747 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:429074. The TPSA of 97.29 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:429074. Following Lipinski's Rule of Five, RefChem:429074 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:429074?
The CAS number of RefChem:429074 is 489464-54-2.
What is the molecular formula of RefChem:429074?
The molecular formula of RefChem:429074 is C20H16N4O3S.
What is the molecular weight of RefChem:429074?
The molecular weight of RefChem:429074 is 392.09 g/mol.
Where can I buy RefChem:429074?
You can request a quote for RefChem:429074 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:429074?
Yes, KEHONG BIO provides custom synthesis services for RefChem:429074 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.