AB00672412-01
TL;DR: AB00672412-01 (CAS 394236-01-2) is a chemical compound with molecular formula C17H21N3O5S2 and molecular weight 411.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-[[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylacetate
Also Known As: AB00672412-01, F0748-0354, ethyl 2-((1-((5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)amino)-1-oxopropan-2-yl)thio)acetate, ethyl 2-[(1-{[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)sulfanyl]acetate, ethyl 2-[1-[[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylacetate
| Molecular Formula | C17H21N3O5S2 |
|---|---|
| Molecular Weight | 411.09 g/mol |
| LogP | 2.8456 |
| Topological Polar Surface Area | 99.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 411.09225 |
| Heavy Atoms | 27 |
| Complexity | 796.6261 |
Chemical Identifiers
| CAS Number | 394236-01-2 |
|---|---|
| SMILES | CCOC(=O)CSC(C)C(=O)NC1=NN=C(S1)C2=C(C=C(C=C2)OC)OC |
Product Overview
AB00672412-01 (CAS 394236-01-2), with molecular formula C17H21N3O5S2 and molecular weight 411.09 g/mol. IUPAC: ethyl 2-[1-[[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylacetate.
Chemical Property Profile of AB00672412-01
Property Insights of AB00672412-01
The XLogP value of 2.8456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00672412-01. The TPSA of 99.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672412-01. Following Lipinski's Rule of Five, AB00672412-01 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 AB00672412-01?
The CAS number of AB00672412-01 is 394236-01-2.
What is the molecular formula of AB00672412-01?
The molecular formula of AB00672412-01 is C17H21N3O5S2.
What is the molecular weight of AB00672412-01?
The molecular weight of AB00672412-01 is 411.09 g/mol.
Where can I buy AB00672412-01?
You can request a quote for AB00672412-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672412-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672412-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.