AB00668867-01
TL;DR: AB00668867-01 (CAS 536713-26-5) is a chemical compound with molecular formula C24H16ClN5O4S and molecular weight 505.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
Also Known As: AB00668867-01, F0580-0796, 2-((3-(3-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(4-nitrophenyl)acetamide, 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide, 2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
| Molecular Formula | C24H16ClN5O4S |
|---|---|
| Molecular Weight | 505.06 g/mol |
| LogP | 5.1594 |
| Topological Polar Surface Area | 122.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 505.06116 |
| Heavy Atoms | 35 |
| Complexity | 1662.9874 |
Chemical Identifiers
| CAS Number | 536713-26-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C5=CC(=CC=C5)Cl |
Product Overview
AB00668867-01 (CAS 536713-26-5), with molecular formula C24H16ClN5O4S and molecular weight 505.06 g/mol. IUPAC: 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of AB00668867-01
Property Insights of AB00668867-01
The XLogP value of 5.1594 indicates that AB00668867-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668867-01. Following Lipinski's Rule of Five, AB00668867-01 has 2 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 AB00668867-01?
The CAS number of AB00668867-01 is 536713-26-5.
What is the molecular formula of AB00668867-01?
The molecular formula of AB00668867-01 is C24H16ClN5O4S.
What is the molecular weight of AB00668867-01?
The molecular weight of AB00668867-01 is 505.06 g/mol.
Where can I buy AB00668867-01?
You can request a quote for AB00668867-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668867-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668867-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.