AB00668860-01
TL;DR: AB00668860-01 (CAS 536711-15-6) is a chemical compound with molecular formula C25H16FN5O2S2 and molecular weight 501.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: AB00668860-01, F0580-0694, N-(1,3-benzothiazol-2-yl)-2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide, N-(benzo[d]thiazol-2-yl)-2-((3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-(1,3-benzothiazol-2-yl)-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
| Molecular Formula | C25H16FN5O2S2 |
|---|---|
| Molecular Weight | 501.07 g/mol |
| LogP | 5.3466 |
| Topological Polar Surface Area | 92.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.07294 |
| Heavy Atoms | 35 |
| Complexity | 1756.7744 |
Chemical Identifiers
| CAS Number | 536711-15-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC(=O)NC4=NC5=CC=CC=C5S4)C6=CC=C(C=C6)F |
Product Overview
AB00668860-01 (CAS 536711-15-6), with molecular formula C25H16FN5O2S2 and molecular weight 501.07 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00668860-01
Property Insights of AB00668860-01
The XLogP value of 5.3466 indicates that AB00668860-01 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 AB00668860-01. Following Lipinski's Rule of Five, AB00668860-01 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00668860-01?
The CAS number of AB00668860-01 is 536711-15-6.
What is the molecular formula of AB00668860-01?
The molecular formula of AB00668860-01 is C25H16FN5O2S2.
What is the molecular weight of AB00668860-01?
The molecular weight of AB00668860-01 is 501.07 g/mol.
Where can I buy AB00668860-01?
You can request a quote for AB00668860-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668860-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668860-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.