AS-871/42261591
TL;DR: AS-871/42261591 (CAS 622802-37-3) is a chemical compound with molecular formula C22H23FN2O2S and molecular weight 398.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[(4-fluorophenyl)-pyrrolidin-1-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
Also Known As: AS-871/42261591, N-{3-[(4-fluorophenyl)(pyrrolidin-1-yl)methyl]-4,5-dimethylthiophen-2-yl}furan-2-carboxamide, N-[3-[(4-fluorophenyl)-pyrrolidin-1-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide, N-{3-[(4-fluorophenyl)(1-pyrrolidinyl)methyl]-4,5-dimethyl-2-thienyl}-2-furamide, N-{3-[(4-fluorophenyl)pyrrolidinylmethyl]-4,5-dimethyl(2-thienyl)}-2-furylcarb oxamide
| Molecular Formula | C22H23FN2O2S |
|---|---|
| Molecular Weight | 398.15 g/mol |
| LogP | 5.53454 |
| Topological Polar Surface Area | 45.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.14642 |
| Heavy Atoms | 28 |
| Complexity | 957.34564 |
Chemical Identifiers
| CAS Number | 622802-37-3 |
|---|---|
| SMILES | CC1=C(SC(=C1C(C2=CC=C(C=C2)F)N3CCCC3)NC(=O)C4=CC=CO4)C |
Product Overview
AS-871/42261591 (CAS 622802-37-3), with molecular formula C22H23FN2O2S and molecular weight 398.15 g/mol. IUPAC: N-[3-[(4-fluorophenyl)-pyrrolidin-1-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide.
Chemical Property Profile of AS-871/42261591
Property Insights of AS-871/42261591
The XLogP value of 5.53454 indicates that AS-871/42261591 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.48 Ų, AS-871/42261591 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AS-871/42261591 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AS-871/42261591?
The CAS number of AS-871/42261591 is 622802-37-3.
What is the molecular formula of AS-871/42261591?
The molecular formula of AS-871/42261591 is C22H23FN2O2S.
What is the molecular weight of AS-871/42261591?
The molecular weight of AS-871/42261591 is 398.15 g/mol.
Where can I buy AS-871/42261591?
You can request a quote for AS-871/42261591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42261591?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42261591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.