AS-871/41508768
TL;DR: AS-871/41508768 (CAS 469877-44-9) is a chemical compound with molecular formula C23H25N5O and molecular weight 387.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-(4-benzylpiperazin-1-yl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)but-2-enenitrile
Also Known As: AS-871/41508768, (Z)-4-(4-benzylpiperazin-1-yl)-3-hydroxy-2-(1-methyl-1H-benzo[d]imidazol-2-yl)but-2-enenitrile, 4-(4-benzyl-1-piperazinyl)-3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-2-butenenitrile, (Z)-4-(4-benzylpiperazin-1-yl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)but-2-enenitrile, (2E)-4-(4-benzylpiperazin-1-yl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile
| Molecular Formula | C23H25N5O |
|---|---|
| Molecular Weight | 387.21 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.2059 |
| Heavy Atoms | 29 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 469877-44-9 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N=C1/C(=C(/CN3CCN(CC3)CC4=CC=CC=C4)\O)/C#N |
| InChIKey | SFRYIUXTTFRENX-QOCHGBHMSA-N |
Product Overview
AS-871/41508768 (CAS 469877-44-9), with molecular formula C23H25N5O and molecular weight 387.21 g/mol. IUPAC: (Z)-4-(4-benzylpiperazin-1-yl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)but-2-enenitrile.
Chemical Property Profile of AS-871/41508768
Property Insights of AS-871/41508768
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/41508768. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/41508768. Following Lipinski's Rule of Five, AS-871/41508768 has 1 hydrogen bond donor(s) and 5 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-871/41508768?
The CAS number of AS-871/41508768 is 469877-44-9.
What is the molecular formula of AS-871/41508768?
The molecular formula of AS-871/41508768 is C23H25N5O.
What is the molecular weight of AS-871/41508768?
The molecular weight of AS-871/41508768 is 387.21 g/mol.
Where can I buy AS-871/41508768?
You can request a quote for AS-871/41508768 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/41508768?
Yes, KEHONG BIO provides custom synthesis services for AS-871/41508768 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.