BAS 00781359
TL;DR: BAS 00781359 (CAS 301307-92-6) is a chemical compound with molecular formula C21H20F3N3O3S and molecular weight 451.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-morpholin-4-ylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
Also Known As: BAS 00781359, BIM-0027862.P001, AB00667118-01, F0222-0015, AE-641/11948026
| Molecular Formula | C21H20F3N3O3S |
|---|---|
| Molecular Weight | 451.12 g/mol |
| LogP | 3.9836 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.11774 |
| Heavy Atoms | 31 |
| Complexity | 976.0706 |
Chemical Identifiers
| CAS Number | 301307-92-6 |
|---|---|
| SMILES | C1COCCN1C2=CC=C(C=C2)NC(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)C(F)(F)F |
Product Overview
BAS 00781359 (CAS 301307-92-6), with molecular formula C21H20F3N3O3S and molecular weight 451.12 g/mol. IUPAC: N-(4-morpholin-4-ylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide.
Chemical Property Profile of BAS 00781359
Property Insights of BAS 00781359
The XLogP value of 3.9836 indicates that BAS 00781359 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00781359. Following Lipinski's Rule of Five, BAS 00781359 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 00781359?
The CAS number of BAS 00781359 is 301307-92-6.
What is the molecular formula of BAS 00781359?
The molecular formula of BAS 00781359 is C21H20F3N3O3S.
What is the molecular weight of BAS 00781359?
The molecular weight of BAS 00781359 is 451.12 g/mol.
Where can I buy BAS 00781359?
You can request a quote for BAS 00781359 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00781359?
Yes, KEHONG BIO provides custom synthesis services for BAS 00781359 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.