AB00668836-01
TL;DR: AB00668836-01 (CAS 536706-71-5) is a chemical compound with molecular formula C29H22N4O3S and molecular weight 506.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
Also Known As: AB00668836-01, F0580-0424, 2-((3-(3-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(naphthalen-1-yl)acetamide, 2-{[3-(3-methoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide, 2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
| Molecular Formula | C29H22N4O3S |
|---|---|
| Molecular Weight | 506.14 g/mol |
| LogP | 5.7596 |
| Topological Polar Surface Area | 89.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 506.14127 |
| Heavy Atoms | 37 |
| Complexity | 1852.6897 |
Chemical Identifiers
| CAS Number | 536706-71-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=CC=CC6=CC=CC=C65 |
Product Overview
AB00668836-01 (CAS 536706-71-5), with molecular formula C29H22N4O3S and molecular weight 506.14 g/mol. IUPAC: 2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide.
Chemical Property Profile of AB00668836-01
Property Insights of AB00668836-01
The XLogP value of 5.7596 indicates that AB00668836-01 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 AB00668836-01. Following Lipinski's Rule of Five, AB00668836-01 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00668836-01?
The CAS number of AB00668836-01 is 536706-71-5.
What is the molecular formula of AB00668836-01?
The molecular formula of AB00668836-01 is C29H22N4O3S.
What is the molecular weight of AB00668836-01?
The molecular weight of AB00668836-01 is 506.14 g/mol.
Where can I buy AB00668836-01?
You can request a quote for AB00668836-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668836-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668836-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.