AB00668871-01
TL;DR: AB00668871-01 (CAS 536713-66-3) is a chemical compound with molecular formula C23H15ClFN3OS and molecular weight 435.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: AB00668871-01, F0580-0816, 3-(3-chlorophenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one, 3-(3-chlorophenyl)-2-((3-fluorobenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(3-chlorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C23H15ClFN3OS |
|---|---|
| Molecular Weight | 435.06 g/mol |
| LogP | 5.9518 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.06085 |
| Heavy Atoms | 30 |
| Complexity | 1460.3711 |
Chemical Identifiers
| CAS Number | 536713-66-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)F)C5=CC(=CC=C5)Cl |
Product Overview
AB00668871-01 (CAS 536713-66-3), with molecular formula C23H15ClFN3OS and molecular weight 435.06 g/mol. IUPAC: 3-(3-chlorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of AB00668871-01
Property Insights of AB00668871-01
The XLogP value of 5.9518 indicates that AB00668871-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.68 Ų, AB00668871-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00668871-01 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00668871-01?
The CAS number of AB00668871-01 is 536713-66-3.
What is the molecular formula of AB00668871-01?
The molecular formula of AB00668871-01 is C23H15ClFN3OS.
What is the molecular weight of AB00668871-01?
The molecular weight of AB00668871-01 is 435.06 g/mol.
Where can I buy AB00668871-01?
You can request a quote for AB00668871-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668871-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668871-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.