BAS 12946036
TL;DR: BAS 12946036 (CAS 831189-22-1) is a chemical compound with molecular formula C19H17N5O2S2 and molecular weight 411.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: BAS 12946036, 2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide, 2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide, 2-((3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl)thio)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide, 2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}-N-[(2E)-5-phenyl-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
| Molecular Formula | C19H17N5O2S2 |
|---|---|
| Molecular Weight | 411.08 g/mol |
| LogP | 3.6574 |
| Topological Polar Surface Area | 100.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.08237 |
| Heavy Atoms | 28 |
| Complexity | 1014.9086 |
Chemical Identifiers
| CAS Number | 831189-22-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)SCC(=O)NC2=NN=C(S2)C3=CC=CC=C3)C#N)COC |
Product Overview
BAS 12946036 (CAS 831189-22-1), with molecular formula C19H17N5O2S2 and molecular weight 411.08 g/mol. IUPAC: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of BAS 12946036
Property Insights of BAS 12946036
The XLogP value of 3.6574 indicates that BAS 12946036 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.79 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12946036. Following Lipinski's Rule of Five, BAS 12946036 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 12946036?
The CAS number of BAS 12946036 is 831189-22-1.
What is the molecular formula of BAS 12946036?
The molecular formula of BAS 12946036 is C19H17N5O2S2.
What is the molecular weight of BAS 12946036?
The molecular weight of BAS 12946036 is 411.08 g/mol.
Where can I buy BAS 12946036?
You can request a quote for BAS 12946036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12946036?
Yes, KEHONG BIO provides custom synthesis services for BAS 12946036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.