AB00686449-01
TL;DR: AB00686449-01 (CAS 753463-58-0) is a chemical compound with molecular formula C22H19N3O5S2 and molecular weight 469.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylphenyl)-2-(4-nitro-15-oxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraen-14-yl)acetamide
Also Known As: AB00686449-01, F1726-0146, N-(4-methylphenyl)-2-{4-nitro-15-oxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-2(7),3,5,13(17)-tetraen-14-yl}acetamide, 2-(10-nitro-2-oxo-5a,6-dihydrochromeno[4',3':4,5]thiopyrano[2,3-d]thiazol-3(2H,5H,11bH)-yl)-N-(p-tolyl)acetamide, N-(4-methylphenyl)-2-(2-nitro-10-oxo(7H,11bH,6aH-1,3-thiazolino[5',4'-6,5]thii no[3,4-c]chroman-9-yl))acetamide
| Molecular Formula | C22H19N3O5S2 |
|---|---|
| Molecular Weight | 469.08 g/mol |
| LogP | 4.01132 |
| Topological Polar Surface Area | 103.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 469.0766 |
| Heavy Atoms | 32 |
| Complexity | 1281.7087 |
Chemical Identifiers
| CAS Number | 753463-58-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CN2C3=C(C4C(COC5=C4C=C(C=C5)[N+](=O)[O-])CS3)SC2=O |
Product Overview
AB00686449-01 (CAS 753463-58-0), with molecular formula C22H19N3O5S2 and molecular weight 469.08 g/mol. IUPAC: N-(4-methylphenyl)-2-(4-nitro-15-oxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraen-14-yl)acetamide.
Chemical Property Profile of AB00686449-01
Property Insights of AB00686449-01
The XLogP value of 4.01132 indicates that AB00686449-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.47 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686449-01. Following Lipinski's Rule of Five, AB00686449-01 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00686449-01?
The CAS number of AB00686449-01 is 753463-58-0.
What is the molecular formula of AB00686449-01?
The molecular formula of AB00686449-01 is C22H19N3O5S2.
What is the molecular weight of AB00686449-01?
The molecular weight of AB00686449-01 is 469.08 g/mol.
Where can I buy AB00686449-01?
You can request a quote for AB00686449-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686449-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686449-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.