BAS 11409551
TL;DR: BAS 11409551 (CAS 728014-97-9) is a chemical compound with molecular formula C17H14N4O3S2 and molecular weight 386.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 11409551, A3844/0163237, methyl 4-(2-((5-(pyridin-3-yl)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate, methyl 4-[({[5-(3-pyridinyl)-1,3,4-thiadiazol-2-yl]thio}acetyl)amino]benzoate, methyl 4-[({[5-(pyridin-3-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetyl)amino]benzoate
| Molecular Formula | C17H14N4O3S2 |
|---|---|
| Molecular Weight | 386.05 g/mol |
| LogP | 3.1175 |
| Topological Polar Surface Area | 94.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.05072 |
| Heavy Atoms | 26 |
| Complexity | 897.88617 |
Chemical Identifiers
| CAS Number | 728014-97-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)C3=CN=CC=C3 |
Product Overview
BAS 11409551 (CAS 728014-97-9), with molecular formula C17H14N4O3S2 and molecular weight 386.05 g/mol. IUPAC: methyl 4-[[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 11409551
Property Insights of BAS 11409551
The XLogP value of 3.1175 indicates that BAS 11409551 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11409551. Following Lipinski's Rule of Five, BAS 11409551 has 1 hydrogen bond donor(s) and 8 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 BAS 11409551?
The CAS number of BAS 11409551 is 728014-97-9.
What is the molecular formula of BAS 11409551?
The molecular formula of BAS 11409551 is C17H14N4O3S2.
What is the molecular weight of BAS 11409551?
The molecular weight of BAS 11409551 is 386.05 g/mol.
Where can I buy BAS 11409551?
You can request a quote for BAS 11409551 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11409551?
Yes, KEHONG BIO provides custom synthesis services for BAS 11409551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.