PHGDH-hit
TL;DR: PHGDH-hit (CAS 731802-36-1) is a chemical compound with molecular formula C18H19F3N4S and molecular weight 380.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Also Known As: PHGDH-hit, N-(4-methylpyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide, N-(4-methylpyridin-2-yl)-4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamide, N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide, N-(4-methyl-2-pyridyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
| Molecular Formula | C18H19F3N4S |
|---|---|
| Molecular Weight | 380.13 g/mol |
| LogP | 3.92782 |
| Topological Polar Surface Area | 31.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 380.12827 |
| Heavy Atoms | 26 |
| Complexity | 786.00085 |
Chemical Identifiers
| CAS Number | 731802-36-1 |
|---|---|
| SMILES | CC1=CC(=NC=C1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
PHGDH-hit (CAS 731802-36-1), with molecular formula C18H19F3N4S and molecular weight 380.13 g/mol. IUPAC: N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide.
Chemical Property Profile of PHGDH-hit
Property Insights of PHGDH-hit
The XLogP value of 3.92782 indicates that PHGDH-hit is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.4 Ų, PHGDH-hit exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, PHGDH-hit has 1 hydrogen bond donor(s) and 3 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 PHGDH-hit?
The CAS number of PHGDH-hit is 731802-36-1.
What is the molecular formula of PHGDH-hit?
The molecular formula of PHGDH-hit is C18H19F3N4S.
What is the molecular weight of PHGDH-hit?
The molecular weight of PHGDH-hit is 380.13 g/mol.
Where can I buy PHGDH-hit?
You can request a quote for PHGDH-hit directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PHGDH-hit?
Yes, KEHONG BIO provides custom synthesis services for PHGDH-hit and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.