AB00668825-01
TL;DR: AB00668825-01 (CAS 536705-77-8) is a chemical compound with molecular formula C30H24N4O2S and molecular weight 504.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
Also Known As: AB00668825-01, F0580-0330, 2-((3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(naphthalen-1-yl)acetamide, 2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide, 2-{[3-(3,5-dimethylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
| Molecular Formula | C30H24N4O2S |
|---|---|
| Molecular Weight | 504.16 g/mol |
| LogP | 6.36784 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.162 |
| Heavy Atoms | 37 |
| Complexity | 1861.2878 |
Chemical Identifiers
| CAS Number | 536705-77-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=CC=CC6=CC=CC=C65)C |
Product Overview
AB00668825-01 (CAS 536705-77-8), with molecular formula C30H24N4O2S and molecular weight 504.16 g/mol. IUPAC: 2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide.
Chemical Property Profile of AB00668825-01
Property Insights of AB00668825-01
The XLogP value of 6.36784 indicates that AB00668825-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668825-01. Following Lipinski's Rule of Five, AB00668825-01 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00668825-01?
The CAS number of AB00668825-01 is 536705-77-8.
What is the molecular formula of AB00668825-01?
The molecular formula of AB00668825-01 is C30H24N4O2S.
What is the molecular weight of AB00668825-01?
The molecular weight of AB00668825-01 is 504.16 g/mol.
Where can I buy AB00668825-01?
You can request a quote for AB00668825-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668825-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668825-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.