BAS 06261716
TL;DR: BAS 06261716 (CAS 606959-76-6) is a chemical compound with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-7-(3-methoxypropyl)-5-(4-methylphenyl)sulfonyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: BAS 06261716, 2-imino-1-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one, AF-399/41899458, 6-Imino-7-(3-methoxypropyl)-5-(4-methylphenyl)sulfonyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one, 2-imino-1-(3-methoxypropyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
| Molecular Formula | C22H22N4O4S |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 2.30639 |
| Topological Polar Surface Area | 106.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.13617 |
| Heavy Atoms | 31 |
| Complexity | 1503.355 |
Chemical Identifiers
| CAS Number | 606959-76-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CCCOC |
Product Overview
BAS 06261716 (CAS 606959-76-6), with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol. IUPAC: 6-imino-7-(3-methoxypropyl)-5-(4-methylphenyl)sulfonyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of BAS 06261716
Property Insights of BAS 06261716
The XLogP value of 2.30639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06261716. The TPSA of 106.52 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06261716. Following Lipinski's Rule of Five, BAS 06261716 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 06261716?
The CAS number of BAS 06261716 is 606959-76-6.
What is the molecular formula of BAS 06261716?
The molecular formula of BAS 06261716 is C22H22N4O4S.
What is the molecular weight of BAS 06261716?
The molecular weight of BAS 06261716 is 438.14 g/mol.
Where can I buy BAS 06261716?
You can request a quote for BAS 06261716 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06261716?
Yes, KEHONG BIO provides custom synthesis services for BAS 06261716 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.