Dhocf3BTPA
TL;DR: Dhocf3BTPA (CAS 140926-49-4) is a chemical compound with molecular formula C19H16F3N3O3S and molecular weight 423.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]-5,6,7,8-tetrahydrophthalazin-1-yl]acetic acid
Also Known As: Dhocf3BTPA, 3,4-Dihydro-4-oxo-5,6-cyclohexano-3-((5-(trifluoromethyl)benzothiazol-2-yl)methyl)-1-pyridazineacetic acid, 2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]-5,6,7,8-tetrahydrophthalazin-1-yl]acetic acid, (4-Oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4,5,6,7,8-hexahydrophthalazin-1-yl)acetic acid, [4-Oxo-3-(5-trifluoromethyl-benzothiazol-2-ylmethyl)-3,4,5,6,7,8-hexahydro-phthalazin-1-yl]-acetic acid
| Molecular Formula | C19H16F3N3O3S |
|---|---|
| Molecular Weight | 423.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.08646 |
| Heavy Atoms | 29 |
| Complexity | 768.0 |
Chemical Identifiers
| CAS Number | 140926-49-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=NN(C2=O)CC3=NC4=C(S3)C=CC(=C4)C(F)(F)F)CC(=O)O |
| InChIKey | VHPPSROXTVQXDZ-UHFFFAOYSA-N |
Product Overview
Dhocf3BTPA (CAS 140926-49-4), with molecular formula C19H16F3N3O3S and molecular weight 423.09 g/mol. IUPAC: 2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]-5,6,7,8-tetrahydrophthalazin-1-yl]acetic acid.
Chemical Property Profile of Dhocf3BTPA
Property Insights of Dhocf3BTPA
The XLogP value of 3.7 indicates that Dhocf3BTPA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dhocf3BTPA. Following Lipinski's Rule of Five, Dhocf3BTPA has 1 hydrogen bond donor(s) and 9 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 Dhocf3BTPA?
The CAS number of Dhocf3BTPA is 140926-49-4.
What is the molecular formula of Dhocf3BTPA?
The molecular formula of Dhocf3BTPA is C19H16F3N3O3S.
What is the molecular weight of Dhocf3BTPA?
The molecular weight of Dhocf3BTPA is 423.09 g/mol.
Where can I buy Dhocf3BTPA?
You can request a quote for Dhocf3BTPA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dhocf3BTPA?
Yes, KEHONG BIO provides custom synthesis services for Dhocf3BTPA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.