A3507/0148587
TL;DR: A3507/0148587 (CAS 1164550-10-0) is a chemical compound with molecular formula C26H22N4O4 and molecular weight 454.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(Z)-3-[2-(1H-benzimidazol-2-yl)ethylamino]-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]benzamide
Also Known As: A3507/0148587, (2Z)-N-[2-(1H-13-BENZODIAZOL-2-YL)ETHYL]-3-(2H-13-BENZODIOXOL-5-YL)-2-(PHENYLFORMAMIDO)PROP-2-ENAMIDE, (Z)-N-(3-((2-(1H-benzo[d]imidazol-2-yl)ethyl)amino)-1-(benzo[d][1,3]dioxol-5-yl)-3-oxoprop-1-en-2-yl)benzamide, N-[(1Z)-3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]benzamide, N-[(Z)-3-[2-(1H-benzimidazol-2-yl)ethylamino]-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]benzamide
| Molecular Formula | C26H22N4O4 |
|---|---|
| Molecular Weight | 454.16 g/mol |
| LogP | 3.4214 |
| Topological Polar Surface Area | 105.34 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.1641 |
| Heavy Atoms | 34 |
| Complexity | 1345.0968 |
Chemical Identifiers
| CAS Number | 1164550-10-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C(/C(=O)NCCC3=NC4=CC=CC=C4N3)\NC(=O)C5=CC=CC=C5 |
Product Overview
A3507/0148587 (CAS 1164550-10-0), with molecular formula C26H22N4O4 and molecular weight 454.16 g/mol. IUPAC: N-[(Z)-3-[2-(1H-benzimidazol-2-yl)ethylamino]-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]benzamide.
Chemical Property Profile of A3507/0148587
Property Insights of A3507/0148587
The XLogP value of 3.4214 indicates that A3507/0148587 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.34 Ų falls within the moderate polarity range, balancing permeability and solubility for A3507/0148587. Following Lipinski's Rule of Five, A3507/0148587 has 3 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 A3507/0148587?
The CAS number of A3507/0148587 is 1164550-10-0.
What is the molecular formula of A3507/0148587?
The molecular formula of A3507/0148587 is C26H22N4O4.
What is the molecular weight of A3507/0148587?
The molecular weight of A3507/0148587 is 454.16 g/mol.
Where can I buy A3507/0148587?
You can request a quote for A3507/0148587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3507/0148587?
Yes, KEHONG BIO provides custom synthesis services for A3507/0148587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.