AS-871/43478406
TL;DR: AS-871/43478406 (CAS 691396-52-8) is a chemical compound with molecular formula C21H13ClN6O2S and molecular weight 448.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-7-(benzenesulfonyl)-5-[(4-chlorophenyl)methyl]pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
Also Known As: AS-871/43478406, 6-amino-5-(4-chlorobenzyl)-7-phenylsulfonyl-5H-pyrrolo[2,3-dicarbonitrile, 6-amino-7-(benzenesulfonyl)-5-[(4-chlorophenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile, 6-amino-7-(benzenesulfonyl)-5-[(4-chlorophenyl)methyl]pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile, 6-amino-5-(4-chlorobenzyl)-7-(phenylsulfonyl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
| Molecular Formula | C21H13ClN6O2S |
|---|---|
| Molecular Weight | 448.05 g/mol |
| LogP | 3.29136 |
| Topological Polar Surface Area | 138.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.05093 |
| Heavy Atoms | 31 |
| Complexity | 1498.4941 |
Chemical Identifiers
| CAS Number | 691396-52-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC(=C(N=C23)C#N)C#N)CC4=CC=C(C=C4)Cl)N |
Product Overview
AS-871/43478406 (CAS 691396-52-8), with molecular formula C21H13ClN6O2S and molecular weight 448.05 g/mol. IUPAC: 6-amino-7-(benzenesulfonyl)-5-[(4-chlorophenyl)methyl]pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile.
Chemical Property Profile of AS-871/43478406
Property Insights of AS-871/43478406
The XLogP value of 3.29136 indicates that AS-871/43478406 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.45 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/43478406. Following Lipinski's Rule of Five, AS-871/43478406 has 1 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-871/43478406?
The CAS number of AS-871/43478406 is 691396-52-8.
What is the molecular formula of AS-871/43478406?
The molecular formula of AS-871/43478406 is C21H13ClN6O2S.
What is the molecular weight of AS-871/43478406?
The molecular weight of AS-871/43478406 is 448.05 g/mol.
Where can I buy AS-871/43478406?
You can request a quote for AS-871/43478406 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/43478406?
Yes, KEHONG BIO provides custom synthesis services for AS-871/43478406 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.