AS-871/42871614
TL;DR: AS-871/42871614 (CAS 879943-10-9) is a chemical compound with molecular formula C21H14N4O4 and molecular weight 386.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(1,3-benzodioxol-5-ylmethyl)-11-methyl-2,6-dioxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Also Known As: AS-871/42871614, 1-(1,3-benzodioxol-5-ylmethyl)-10-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile, 1-(1,3-benzodioxol-5-ylmethyl)-10-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carbonitrile, 1-(benzo[d][1,3]dioxol-5-ylmethyl)-10-methyl-2,5-dioxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
| Molecular Formula | C21H14N4O4 |
|---|---|
| Molecular Weight | 386.10 g/mol |
| LogP | 1.9665 |
| Topological Polar Surface Area | 98.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 386.1015 |
| Heavy Atoms | 29 |
| Complexity | 1477.0457 |
Chemical Identifiers
| CAS Number | 879943-10-9 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=O)N3CC4=CC5=C(C=C4)OCO5)C#N |
Product Overview
AS-871/42871614 (CAS 879943-10-9), with molecular formula C21H14N4O4 and molecular weight 386.10 g/mol. IUPAC: 7-(1,3-benzodioxol-5-ylmethyl)-11-methyl-2,6-dioxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile.
Chemical Property Profile of AS-871/42871614
Property Insights of AS-871/42871614
The XLogP value of 1.9665 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/42871614. The TPSA of 98.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42871614. Following Lipinski's Rule of Five, AS-871/42871614 has 0 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-871/42871614?
The CAS number of AS-871/42871614 is 879943-10-9.
What is the molecular formula of AS-871/42871614?
The molecular formula of AS-871/42871614 is C21H14N4O4.
What is the molecular weight of AS-871/42871614?
The molecular weight of AS-871/42871614 is 386.10 g/mol.
Where can I buy AS-871/42871614?
You can request a quote for AS-871/42871614 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42871614?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42871614 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.