AS-871/42488393
TL;DR: AS-871/42488393 (CAS 631858-73-6) is a chemical compound with molecular formula C28H35N3O3S and molecular weight 493.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[(4-ethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide
Also Known As: AS-871/42488393, N-[3-[(4-ethoxyphenyl)-[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-4,5-dimethyl-2-thiophenyl]benzamide, N-[3-[(4-ethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide, N-(3-{(4-ethoxyphenyl)[4-(2-hydroxyethyl)-1-piperazinyl]methyl}-4,5-dimethyl-2-thienyl)benzamide, N-(3-{(4-ethoxyphenyl)[4-(2-hydroxyethyl)piperazinyl]methyl}-4,5-dimethyl(2-th ienyl))benzamide
| Molecular Formula | C28H35N3O3S |
|---|---|
| Molecular Weight | 493.24 g/mol |
| LogP | 4.71524 |
| Topological Polar Surface Area | 65.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 493.2399 |
| Heavy Atoms | 35 |
| Complexity | 1106.4811 |
Chemical Identifiers
| CAS Number | 631858-73-6 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(C2=C(SC(=C2C)C)NC(=O)C3=CC=CC=C3)N4CCN(CC4)CCO |
Product Overview
AS-871/42488393 (CAS 631858-73-6), with molecular formula C28H35N3O3S and molecular weight 493.24 g/mol. IUPAC: N-[3-[(4-ethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide.
Chemical Property Profile of AS-871/42488393
Property Insights of AS-871/42488393
The XLogP value of 4.71524 indicates that AS-871/42488393 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42488393. Following Lipinski's Rule of Five, AS-871/42488393 has 2 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-871/42488393?
The CAS number of AS-871/42488393 is 631858-73-6.
What is the molecular formula of AS-871/42488393?
The molecular formula of AS-871/42488393 is C28H35N3O3S.
What is the molecular weight of AS-871/42488393?
The molecular weight of AS-871/42488393 is 493.24 g/mol.
Where can I buy AS-871/42488393?
You can request a quote for AS-871/42488393 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42488393?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42488393 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.