AB00491311-08
TL;DR: AB00491311-08 (CAS 618404-76-5) is a chemical compound with molecular formula C22H26N4O2S and molecular weight 410.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4,5-dimethyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide
Also Known As: AB00491311-08, N-{4,5-dimethyl-3-[(4-methylpiperazin-1-yl)(pyridin-3-yl)methyl]thiophen-2-yl}furan-2-carboxamide, N-{4,5-dimethyl-3-[(4-methylpiperazinyl)-3-pyridylmethyl](2-thienyl)}-2-furylc arboxamide, N-[4,5-dimethyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide
| Molecular Formula | C22H26N4O2S |
|---|---|
| Molecular Weight | 410.18 g/mol |
| LogP | 3.94204 |
| Topological Polar Surface Area | 61.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.17764 |
| Heavy Atoms | 29 |
| Complexity | 960.37604 |
Chemical Identifiers
| CAS Number | 618404-76-5 |
|---|---|
| SMILES | CC1=C(SC(=C1C(C2=CN=CC=C2)N3CCN(CC3)C)NC(=O)C4=CC=CO4)C |
Product Overview
AB00491311-08 (CAS 618404-76-5), with molecular formula C22H26N4O2S and molecular weight 410.18 g/mol. IUPAC: N-[4,5-dimethyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide.
Chemical Property Profile of AB00491311-08
Property Insights of AB00491311-08
The XLogP value of 3.94204 indicates that AB00491311-08 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.61 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00491311-08. Following Lipinski's Rule of Five, AB00491311-08 has 1 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 AB00491311-08?
The CAS number of AB00491311-08 is 618404-76-5.
What is the molecular formula of AB00491311-08?
The molecular formula of AB00491311-08 is C22H26N4O2S.
What is the molecular weight of AB00491311-08?
The molecular weight of AB00491311-08 is 410.18 g/mol.
Where can I buy AB00491311-08?
You can request a quote for AB00491311-08 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00491311-08?
Yes, KEHONG BIO provides custom synthesis services for AB00491311-08 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.