A4129/0176053
TL;DR: A4129/0176053 (CAS 834900-05-9) is a chemical compound with molecular formula C13H13N3O2S3 and molecular weight 339.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]-3-oxo-N-phenylbutanamide
Also Known As: A4129/0176053, 2-[(4-methyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]-3-oxo-N-phenylbutanamide, 2-((4-methyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)thio)-3-oxo-N-phenylbutanamide, 2-(3-methyl-2-thioxo(1,3,4-thiadiazolin-5-ylthio))-3-oxo-N-phenylbutanamide, 2-[(4-METHYL-5-SULFANYLIDENE-4,5-DIHYDRO-1,3,4-THIADIAZOL-2-YL)SULFANYL]-3-OXO-N-PHENYLBUTANAMIDE
| Molecular Formula | C13H13N3O2S3 |
|---|---|
| Molecular Weight | 339.02 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.017 |
| Heavy Atoms | 21 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 834900-05-9 |
|---|---|
| SMILES | CC(=O)C(C(=O)NC1=CC=CC=C1)SC2=NN(C(=S)S2)C |
| InChIKey | DXMRZRZCCWGTLC-UHFFFAOYSA-N |
Product Overview
A4129/0176053 (CAS 834900-05-9), with molecular formula C13H13N3O2S3 and molecular weight 339.02 g/mol. IUPAC: 2-[(4-methyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]-3-oxo-N-phenylbutanamide.
Chemical Property Profile of A4129/0176053
Property Insights of A4129/0176053
The XLogP value of 3.4 indicates that A4129/0176053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting A4129/0176053 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A4129/0176053 has 1 hydrogen bond donor(s) and 6 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 A4129/0176053?
The CAS number of A4129/0176053 is 834900-05-9.
What is the molecular formula of A4129/0176053?
The molecular formula of A4129/0176053 is C13H13N3O2S3.
What is the molecular weight of A4129/0176053?
The molecular weight of A4129/0176053 is 339.02 g/mol.
Where can I buy A4129/0176053?
You can request a quote for A4129/0176053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4129/0176053?
Yes, KEHONG BIO provides custom synthesis services for A4129/0176053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.