AS-871/43478404
TL;DR: AS-871/43478404 (CAS 691396-46-0) is a chemical compound with molecular formula C22H14ClN9 and molecular weight 439.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-(3-chloroanilino)-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
Also Known As: AS-871/43478404, 6-amino-5-[(3-chlorophenyl)amino]-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile, 6-amino-5-(3-chloroanilino)-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile, 6-amino-5-(3-chloroanilino)-7-(1-methyl-1H-benzimidazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile, 6-amino-5-(3-chloroanilino)-7-(1-methyl-1H-benzo[d]imidazol- 2-yl)-5H-pyrrolo[2,3-dicarbonitrile
| Molecular Formula | C22H14ClN9 |
|---|---|
| Molecular Weight | 439.11 g/mol |
| LogP | 3.83916 |
| Topological Polar Surface Area | 134.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.10608 |
| Heavy Atoms | 32 |
| Complexity | 1615.0256 |
Chemical Identifiers
| CAS Number | 691396-46-0 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N=C1C3=C(N(C4=NC(=C(N=C34)C#N)C#N)NC5=CC(=CC=C5)Cl)N |
Product Overview
AS-871/43478404 (CAS 691396-46-0), with molecular formula C22H14ClN9 and molecular weight 439.11 g/mol. IUPAC: 6-amino-5-(3-chloroanilino)-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile.
Chemical Property Profile of AS-871/43478404
Property Insights of AS-871/43478404
The XLogP value of 3.83916 indicates that AS-871/43478404 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/43478404. Following Lipinski's Rule of Five, AS-871/43478404 has 2 hydrogen bond donor(s) and 7 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-871/43478404?
The CAS number of AS-871/43478404 is 691396-46-0.
What is the molecular formula of AS-871/43478404?
The molecular formula of AS-871/43478404 is C22H14ClN9.
What is the molecular weight of AS-871/43478404?
The molecular weight of AS-871/43478404 is 439.11 g/mol.
Where can I buy AS-871/43478404?
You can request a quote for AS-871/43478404 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/43478404?
Yes, KEHONG BIO provides custom synthesis services for AS-871/43478404 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.