3H-048
TL;DR: 3H-048 (CAS 338407-29-7) is a chemical compound with molecular formula C19H19ClF3N3OS and molecular weight 429.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-3-cyclohexylurea
Also Known As: 3H-048, 3-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}phenyl)-1-cyclohexylurea, N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}phenyl)-N'-cyclohexylurea, 1-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]-3-cyclohexylurea, 3-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]-1-cyclohexyl-urea
| Molecular Formula | C19H19ClF3N3OS |
|---|---|
| Molecular Weight | 429.09 g/mol |
| LogP | 6.3592 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.08896 |
| Heavy Atoms | 28 |
| Complexity | 841.4138 |
Chemical Identifiers
| CAS Number | 338407-29-7 |
|---|---|
| SMILES | C1CCC(CC1)NC(=O)NC2=CC=CC=C2SC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
3H-048 (CAS 338407-29-7), with molecular formula C19H19ClF3N3OS and molecular weight 429.09 g/mol. IUPAC: 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-3-cyclohexylurea.
Chemical Property Profile of 3H-048
Property Insights of 3H-048
The XLogP value of 6.3592 indicates that 3H-048 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, 3H-048 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-048 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3H-048?
The CAS number of 3H-048 is 338407-29-7.
What is the molecular formula of 3H-048?
The molecular formula of 3H-048 is C19H19ClF3N3OS.
What is the molecular weight of 3H-048?
The molecular weight of 3H-048 is 429.09 g/mol.
Where can I buy 3H-048?
You can request a quote for 3H-048 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-048?
Yes, KEHONG BIO provides custom synthesis services for 3H-048 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.