AB00684526-01
TL;DR: AB00684526-01 (CAS 536703-77-2) is a chemical compound with molecular formula C21H15N5O2S2 and molecular weight 433.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Also Known As: AB00684526-01, F0580-0132, 2-((4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(thiazol-2-yl)acetamide, 2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
| Molecular Formula | C21H15N5O2S2 |
|---|---|
| Molecular Weight | 433.07 g/mol |
| LogP | 4.0543 |
| Topological Polar Surface Area | 92.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.0667 |
| Heavy Atoms | 30 |
| Complexity | 1408.4291 |
Chemical Identifiers
| CAS Number | 536703-77-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=NC=CS5 |
Product Overview
AB00684526-01 (CAS 536703-77-2), with molecular formula C21H15N5O2S2 and molecular weight 433.07 g/mol. IUPAC: 2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of AB00684526-01
Property Insights of AB00684526-01
The XLogP value of 4.0543 indicates that AB00684526-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.67 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684526-01. Following Lipinski's Rule of Five, AB00684526-01 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 AB00684526-01?
The CAS number of AB00684526-01 is 536703-77-2.
What is the molecular formula of AB00684526-01?
The molecular formula of AB00684526-01 is C21H15N5O2S2.
What is the molecular weight of AB00684526-01?
The molecular weight of AB00684526-01 is 433.07 g/mol.
Where can I buy AB00684526-01?
You can request a quote for AB00684526-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684526-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684526-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.