AB00668887-01
TL;DR: AB00668887-01 (CAS 536717-15-4) is a chemical compound with molecular formula C26H21N5O6S and molecular weight 531.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,5-dimethoxyphenyl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: AB00668887-01, F0580-1087, N-(2,5-dimethoxyphenyl)-2-((3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-(2,5-dimethoxyphenyl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide, N-(2,5-dimethoxyphenyl)-2-{[3-(4-nitrophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
| Molecular Formula | C26H21N5O6S |
|---|---|
| Molecular Weight | 531.12 g/mol |
| LogP | 4.5232 |
| Topological Polar Surface Area | 141.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 531.1213 |
| Heavy Atoms | 38 |
| Complexity | 1745.7454 |
Chemical Identifiers
| CAS Number | 536717-15-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=CC=C53 |
Product Overview
AB00668887-01 (CAS 536717-15-4), with molecular formula C26H21N5O6S and molecular weight 531.12 g/mol. IUPAC: N-(2,5-dimethoxyphenyl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00668887-01
Property Insights of AB00668887-01
The XLogP value of 4.5232 indicates that AB00668887-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.38 Ų indicates high polarity, suggesting AB00668887-01 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00668887-01 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00668887-01?
The CAS number of AB00668887-01 is 536717-15-4.
What is the molecular formula of AB00668887-01?
The molecular formula of AB00668887-01 is C26H21N5O6S.
What is the molecular weight of AB00668887-01?
The molecular weight of AB00668887-01 is 531.12 g/mol.
Where can I buy AB00668887-01?
You can request a quote for AB00668887-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668887-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668887-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.