4H-007
TL;DR: 4H-007 (CAS 338420-75-0) is a chemical compound with molecular formula C19H14ClF3N4O2S and molecular weight 454.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)carbamothioyl]pyrrole-2-carboxamide
Also Known As: 4H-007, N-({1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrol-2-yl}carbonyl)-N'-(4-methoxyphenyl)thiourea, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(4-methoxyphenyl)carbamothioyl]pyrrole-2-carboxamide, 3-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-carbonyl}-1-(4-methoxyphenyl)thiourea
| Molecular Formula | C19H14ClF3N4O2S |
|---|---|
| Molecular Weight | 454.05 g/mol |
| LogP | 4.6799 |
| Topological Polar Surface Area | 68.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.04782 |
| Heavy Atoms | 30 |
| Complexity | 1084.1288 |
Chemical Identifiers
| CAS Number | 338420-75-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CN2C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
4H-007 (CAS 338420-75-0), with molecular formula C19H14ClF3N4O2S and molecular weight 454.05 g/mol. IUPAC: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)carbamothioyl]pyrrole-2-carboxamide.
Chemical Property Profile of 4H-007
Property Insights of 4H-007
The XLogP value of 4.6799 indicates that 4H-007 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-007. Following Lipinski's Rule of Five, 4H-007 has 2 hydrogen bond donor(s) and 4 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 4H-007?
The CAS number of 4H-007 is 338420-75-0.
What is the molecular formula of 4H-007?
The molecular formula of 4H-007 is C19H14ClF3N4O2S.
What is the molecular weight of 4H-007?
The molecular weight of 4H-007 is 454.05 g/mol.
Where can I buy 4H-007?
You can request a quote for 4H-007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-007?
Yes, KEHONG BIO provides custom synthesis services for 4H-007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.