ChemDiv3_003987
TL;DR: ChemDiv3_003987 (CAS 385787-07-5) is a chemical compound with molecular formula C19H15F3N2O4S and molecular weight 424.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate
Also Known As: ChemDiv3_003987, IDI1_021897, BAS 04357910, AB00117311-01, AF-399/40886002
| Molecular Formula | C19H15F3N2O4S |
|---|---|
| Molecular Weight | 424.07 g/mol |
| LogP | 3.9336 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.07047 |
| Heavy Atoms | 29 |
| Complexity | 960.9169 |
Chemical Identifiers
| CAS Number | 385787-07-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F |
Product Overview
ChemDiv3_003987 (CAS 385787-07-5), with molecular formula C19H15F3N2O4S and molecular weight 424.07 g/mol. IUPAC: methyl 4-[[2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate.
Chemical Property Profile of ChemDiv3_003987
Property Insights of ChemDiv3_003987
The XLogP value of 3.9336 indicates that ChemDiv3_003987 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003987. Following Lipinski's Rule of Five, ChemDiv3_003987 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 ChemDiv3_003987?
The CAS number of ChemDiv3_003987 is 385787-07-5.
What is the molecular formula of ChemDiv3_003987?
The molecular formula of ChemDiv3_003987 is C19H15F3N2O4S.
What is the molecular weight of ChemDiv3_003987?
The molecular weight of ChemDiv3_003987 is 424.07 g/mol.
Where can I buy ChemDiv3_003987?
You can request a quote for ChemDiv3_003987 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003987?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003987 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.