AB00668842-01
TL;DR: AB00668842-01 (CAS 536707-33-2) is a chemical compound with molecular formula C25H20N4O3S and molecular weight 456.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenylacetamide
Also Known As: AB00668842-01, 2-((3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-phenylacetamide, F0580-0486, 2-[[3-(4-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenylacetamide, 2-{[3-(4-methoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide
| Molecular Formula | C25H20N4O3S |
|---|---|
| Molecular Weight | 456.13 g/mol |
| LogP | 4.6064 |
| Topological Polar Surface Area | 89.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.1256 |
| Heavy Atoms | 33 |
| Complexity | 1508.5687 |
Chemical Identifiers
| CAS Number | 536707-33-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=CC=CC=C5 |
Product Overview
AB00668842-01 (CAS 536707-33-2), with molecular formula C25H20N4O3S and molecular weight 456.13 g/mol. IUPAC: 2-[[3-(4-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenylacetamide.
Chemical Property Profile of AB00668842-01
Property Insights of AB00668842-01
The XLogP value of 4.6064 indicates that AB00668842-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668842-01. Following Lipinski's Rule of Five, AB00668842-01 has 2 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 AB00668842-01?
The CAS number of AB00668842-01 is 536707-33-2.
What is the molecular formula of AB00668842-01?
The molecular formula of AB00668842-01 is C25H20N4O3S.
What is the molecular weight of AB00668842-01?
The molecular weight of AB00668842-01 is 456.13 g/mol.
Where can I buy AB00668842-01?
You can request a quote for AB00668842-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668842-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668842-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.