AS-871/42863822
TL;DR: AS-871/42863822 (CAS 606955-63-9) is a chemical compound with molecular formula C24H24N4O4S and molecular weight 464.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-13-methyl-5-(4-methylphenyl)sulfonyl-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: AS-871/42863822, 2-imino-8-methyl-3-[(4-methylphenyl)sulfonyl]-1-(tetrahydrofuran-2-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 2-IMINO-8-METHYL-3-[(4-METHYLPHENYL)SULFONYL]-1-(TETRAHYDRO-2-FURANYLMETHYL)-1,2-DIHYDRO-5H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-5-ONE, 2-imino-8-methyl-1-((tetrahydrofuran-2-yl)methyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
| Molecular Formula | C24H24N4O4S |
|---|---|
| Molecular Weight | 464.15 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.15182 |
| Heavy Atoms | 33 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 606955-63-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C=CC(=CN4C3=O)C)N(C2=N)CC5CCCO5 |
| InChIKey | LSCNQNQKIOEJPP-UHFFFAOYSA-N |
Product Overview
AS-871/42863822 (CAS 606955-63-9), with molecular formula C24H24N4O4S and molecular weight 464.15 g/mol. IUPAC: 6-imino-13-methyl-5-(4-methylphenyl)sulfonyl-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 AS-871/42863822
Property Insights of AS-871/42863822
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/42863822. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42863822. Following Lipinski's Rule of Five, AS-871/42863822 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 AS-871/42863822?
The CAS number of AS-871/42863822 is 606955-63-9.
What is the molecular formula of AS-871/42863822?
The molecular formula of AS-871/42863822 is C24H24N4O4S.
What is the molecular weight of AS-871/42863822?
The molecular weight of AS-871/42863822 is 464.15 g/mol.
Where can I buy AS-871/42863822?
You can request a quote for AS-871/42863822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42863822?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42863822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.