BAS 00632961
TL;DR: BAS 00632961 (CAS 299198-16-6) is a chemical compound with molecular formula C16H10BrF3N2OS and molecular weight 413.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-bromophenyl)methanone
Also Known As: BAS 00632961, (3-Amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl)(4-bromophenyl)methanone, [3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](4-bromophenyl)methanone, 2-(4-BROMOBENZOYL)-6-METHYL-4-(TRIFLUOROMETHYL)THIENO[2,3-B]PYRIDIN-3-AMINE, A0031/0001418
| Molecular Formula | C16H10BrF3N2OS |
|---|---|
| Molecular Weight | 413.96 g/mol |
| LogP | 5.19922 |
| Topological Polar Surface Area | 55.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 413.96494 |
| Heavy Atoms | 24 |
| Complexity | 948.5963 |
Chemical Identifiers
| CAS Number | 299198-16-6 |
|---|---|
| SMILES | CC1=CC(=C2C(=C(SC2=N1)C(=O)C3=CC=C(C=C3)Br)N)C(F)(F)F |
Product Overview
BAS 00632961 (CAS 299198-16-6), with molecular formula C16H10BrF3N2OS and molecular weight 413.96 g/mol. IUPAC: [3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-bromophenyl)methanone.
Chemical Property Profile of BAS 00632961
Property Insights of BAS 00632961
The XLogP value of 5.19922 indicates that BAS 00632961 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.98 Ų, BAS 00632961 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00632961 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00632961?
The CAS number of BAS 00632961 is 299198-16-6.
What is the molecular formula of BAS 00632961?
The molecular formula of BAS 00632961 is C16H10BrF3N2OS.
What is the molecular weight of BAS 00632961?
The molecular weight of BAS 00632961 is 413.96 g/mol.
Where can I buy BAS 00632961?
You can request a quote for BAS 00632961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00632961?
Yes, KEHONG BIO provides custom synthesis services for BAS 00632961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.