BAS 13120244
TL;DR: BAS 13120244 (CAS 401582-70-5) is a chemical compound with molecular formula C18H16F3N3O2S and molecular weight 395.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-(methoxymethyl)-6-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
Also Known As: BAS 13120244, 3-amino-4-(methoxymethyl)-6-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide, A2919/0122978, Thieno[2,3-b]pyridine-2-carboxylic acid, 3-amino-4-methoxymethyl-6-methyl-, (3-trifluoromethylphenyl)amide
| Molecular Formula | C18H16F3N3O2S |
|---|---|
| Molecular Weight | 395.09 g/mol |
| LogP | 4.60442 |
| Topological Polar Surface Area | 77.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.09152 |
| Heavy Atoms | 27 |
| Complexity | 1014.98987 |
Chemical Identifiers
| CAS Number | 401582-70-5 |
|---|---|
| SMILES | CC1=CC(=C2C(=C(SC2=N1)C(=O)NC3=CC=CC(=C3)C(F)(F)F)N)COC |
Product Overview
BAS 13120244 (CAS 401582-70-5), with molecular formula C18H16F3N3O2S and molecular weight 395.09 g/mol. IUPAC: 3-amino-4-(methoxymethyl)-6-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide.
Chemical Property Profile of BAS 13120244
Property Insights of BAS 13120244
The XLogP value of 4.60442 indicates that BAS 13120244 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.24 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13120244. Following Lipinski's Rule of Five, BAS 13120244 has 2 hydrogen bond donor(s) and 5 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 13120244?
The CAS number of BAS 13120244 is 401582-70-5.
What is the molecular formula of BAS 13120244?
The molecular formula of BAS 13120244 is C18H16F3N3O2S.
What is the molecular weight of BAS 13120244?
The molecular weight of BAS 13120244 is 395.09 g/mol.
Where can I buy BAS 13120244?
You can request a quote for BAS 13120244 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13120244?
Yes, KEHONG BIO provides custom synthesis services for BAS 13120244 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.