A3530/0149521
TL;DR: A3530/0149521 (CAS 695205-63-1) is a chemical compound with molecular formula C24H15FN2O3S and molecular weight 430.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
Also Known As: A3530/0149521, (E)-N-((9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl)-3-(4-fluorophenyl)acrylamide, (E)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide, N-(9,10-DIOXO-9,10-DIHYDRO-2-ANTHRACENYL)-N'-[3-(4-FLUOROPHENYL)ACRYLOYL]THIOUREA, (2E)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
| Molecular Formula | C24H15FN2O3S |
|---|---|
| Molecular Weight | 430.08 g/mol |
| LogP | 4.1275 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 430.07874 |
| Heavy Atoms | 31 |
| Complexity | 1266.0709 |
Chemical Identifiers
| CAS Number | 695205-63-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=S)NC(=O)/C=C/C4=CC=C(C=C4)F |
Product Overview
A3530/0149521 (CAS 695205-63-1), with molecular formula C24H15FN2O3S and molecular weight 430.08 g/mol. IUPAC: (E)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide.
Chemical Property Profile of A3530/0149521
Property Insights of A3530/0149521
The XLogP value of 4.1275 indicates that A3530/0149521 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for A3530/0149521. Following Lipinski's Rule of Five, A3530/0149521 has 2 hydrogen bond donor(s) and 4 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 A3530/0149521?
The CAS number of A3530/0149521 is 695205-63-1.
What is the molecular formula of A3530/0149521?
The molecular formula of A3530/0149521 is C24H15FN2O3S.
What is the molecular weight of A3530/0149521?
The molecular weight of A3530/0149521 is 430.08 g/mol.
Where can I buy A3530/0149521?
You can request a quote for A3530/0149521 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3530/0149521?
Yes, KEHONG BIO provides custom synthesis services for A3530/0149521 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.