AB00668882-01
TL;DR: AB00668882-01 (CAS 536716-71-9) is a chemical compound with molecular formula C27H21N5O4S and molecular weight 511.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: AB00668882-01, F0580-1044, 2-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-3-(4-nitrophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(4-nitrophenyl)-2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one, 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C27H21N5O4S |
|---|---|
| Molecular Weight | 511.13 g/mol |
| LogP | 4.8467 |
| Topological Polar Surface Area | 114.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 511.13144 |
| Heavy Atoms | 37 |
| Complexity | 1742.1681 |
Chemical Identifiers
| CAS Number | 536716-71-9 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC4=C(C(=O)N3C5=CC=C(C=C5)[N+](=O)[O-])NC6=CC=CC=C64 |
Product Overview
AB00668882-01 (CAS 536716-71-9), with molecular formula C27H21N5O4S and molecular weight 511.13 g/mol. IUPAC: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of AB00668882-01
Property Insights of AB00668882-01
The XLogP value of 4.8467 indicates that AB00668882-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.13 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668882-01. Following Lipinski's Rule of Five, AB00668882-01 has 1 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 AB00668882-01?
The CAS number of AB00668882-01 is 536716-71-9.
What is the molecular formula of AB00668882-01?
The molecular formula of AB00668882-01 is C27H21N5O4S.
What is the molecular weight of AB00668882-01?
The molecular weight of AB00668882-01 is 511.13 g/mol.
Where can I buy AB00668882-01?
You can request a quote for AB00668882-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668882-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668882-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.