AB00686031-01
TL;DR: AB00686031-01 (CAS 1005040-03-8) is a chemical compound with molecular formula C16H14N2O7S2 and molecular weight 410.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 7-(3-nitrophenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate
Also Known As: AB00686031-01, F1422-0015, 5,6-dimethyl 7-(3-nitrophenyl)-2-oxo-2H,3H,5H,6H,7H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate, dimethyl 7-(3-nitrophenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate, dimethyl 7-(3-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d]thiazole-5,6-dicarboxylate
| Molecular Formula | C16H14N2O7S2 |
|---|---|
| Molecular Weight | 410.02 g/mol |
| LogP | 1.913 |
| Topological Polar Surface Area | 128.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.02423 |
| Heavy Atoms | 27 |
| Complexity | 967.6735 |
Chemical Identifiers
| CAS Number | 1005040-03-8 |
|---|---|
| SMILES | COC(=O)C1C(C2=C(NC(=O)S2)SC1C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
AB00686031-01 (CAS 1005040-03-8), with molecular formula C16H14N2O7S2 and molecular weight 410.02 g/mol. IUPAC: dimethyl 7-(3-nitrophenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate.
Chemical Property Profile of AB00686031-01
Property Insights of AB00686031-01
The XLogP value of 1.913 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00686031-01. The TPSA of 128.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686031-01. Following Lipinski's Rule of Five, AB00686031-01 has 1 hydrogen bond donor(s) and 9 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 AB00686031-01?
The CAS number of AB00686031-01 is 1005040-03-8.
What is the molecular formula of AB00686031-01?
The molecular formula of AB00686031-01 is C16H14N2O7S2.
What is the molecular weight of AB00686031-01?
The molecular weight of AB00686031-01 is 410.02 g/mol.
Where can I buy AB00686031-01?
You can request a quote for AB00686031-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686031-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686031-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.