BAS 12975258
TL;DR: BAS 12975258 (CAS 878431-01-7) is a chemical compound with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-[6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline
Also Known As: BAS 12975258, AO-365/43301080, N,N-dimethyl-4-[6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline, N,N-dimethyl-4-[6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline, N,N-dimethyl-4-(6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)aniline
| Molecular Formula | C20H21N5O3S |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 3.6116 |
| Topological Polar Surface Area | 74.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.1365 |
| Heavy Atoms | 29 |
| Complexity | 1125.8508 |
Chemical Identifiers
| CAS Number | 878431-01-7 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC(=C(C(=C4)OC)OC)OC |
Product Overview
BAS 12975258 (CAS 878431-01-7), with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol. IUPAC: N,N-dimethyl-4-[6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline.
Chemical Property Profile of BAS 12975258
Property Insights of BAS 12975258
The XLogP value of 3.6116 indicates that BAS 12975258 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.01 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12975258. Following Lipinski's Rule of Five, BAS 12975258 has 0 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 12975258?
The CAS number of BAS 12975258 is 878431-01-7.
What is the molecular formula of BAS 12975258?
The molecular formula of BAS 12975258 is C20H21N5O3S.
What is the molecular weight of BAS 12975258?
The molecular weight of BAS 12975258 is 411.14 g/mol.
Where can I buy BAS 12975258?
You can request a quote for BAS 12975258 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12975258?
Yes, KEHONG BIO provides custom synthesis services for BAS 12975258 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.