AB00687102-01
TL;DR: AB00687102-01 (CAS 893993-49-2) is a chemical compound with molecular formula C18H19N5O3S2 and molecular weight 417.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: AB00687102-01, F1899-0386, 2-{[6-(3,4-DIMETHOXYPHENYL)PYRIDAZIN-3-YL]SULFANYL}-N-(5-ETHYL-1,3,4-THIADIAZOL-2-YL)ACETAMIDE, 2-((6-(3,4-dimethoxyphenyl)pyridazin-3-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide, 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
| Molecular Formula | C18H19N5O3S2 |
|---|---|
| Molecular Weight | 417.09 g/mol |
| LogP | 3.3055 |
| Topological Polar Surface Area | 99.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 417.09293 |
| Heavy Atoms | 28 |
| Complexity | 946.64905 |
Chemical Identifiers
| CAS Number | 893993-49-2 |
|---|---|
| SMILES | CCC1=NN=C(S1)NC(=O)CSC2=NN=C(C=C2)C3=CC(=C(C=C3)OC)OC |
Product Overview
AB00687102-01 (CAS 893993-49-2), with molecular formula C18H19N5O3S2 and molecular weight 417.09 g/mol. IUPAC: 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of AB00687102-01
Property Insights of AB00687102-01
The XLogP value of 3.3055 indicates that AB00687102-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00687102-01. Following Lipinski's Rule of Five, AB00687102-01 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 AB00687102-01?
The CAS number of AB00687102-01 is 893993-49-2.
What is the molecular formula of AB00687102-01?
The molecular formula of AB00687102-01 is C18H19N5O3S2.
What is the molecular weight of AB00687102-01?
The molecular weight of AB00687102-01 is 417.09 g/mol.
Where can I buy AB00687102-01?
You can request a quote for AB00687102-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00687102-01?
Yes, KEHONG BIO provides custom synthesis services for AB00687102-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.