BAS 06260825
TL;DR: BAS 06260825 (CAS 578750-41-1) is a chemical compound with molecular formula C22H20N4O4S and molecular weight 436.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzenesulfonyl)-6-imino-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: BAS 06260825, 2-Imino-3-(phenylsulfonyl)-1-((tetrahydrofuran-2-yl)methyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 3-(benzenesulfonyl)-2-imino-1-(2-oxolanylmethyl)-5-dipyrido[1,2-d:3',4'-f]pyrimidinone, 2-imino-3-(phenylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one, 5-(benzenesulfonyl)-6-imino-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
| Molecular Formula | C22H20N4O4S |
|---|---|
| Molecular Weight | 436.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.1205 |
| Heavy Atoms | 31 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 578750-41-1 |
|---|---|
| SMILES | C1CC(OC1)CN2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=CC=C4)C(=O)N5C=CC=CC5=N3 |
| InChIKey | YOBPVVQQTXGMLH-UHFFFAOYSA-N |
Product Overview
BAS 06260825 (CAS 578750-41-1), with molecular formula C22H20N4O4S and molecular weight 436.12 g/mol. IUPAC: 5-(benzenesulfonyl)-6-imino-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of BAS 06260825
Property Insights of BAS 06260825
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06260825. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06260825. Following Lipinski's Rule of Five, BAS 06260825 has 1 hydrogen bond donor(s) and 6 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 BAS 06260825?
The CAS number of BAS 06260825 is 578750-41-1.
What is the molecular formula of BAS 06260825?
The molecular formula of BAS 06260825 is C22H20N4O4S.
What is the molecular weight of BAS 06260825?
The molecular weight of BAS 06260825 is 436.12 g/mol.
Where can I buy BAS 06260825?
You can request a quote for BAS 06260825 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06260825?
Yes, KEHONG BIO provides custom synthesis services for BAS 06260825 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.