3H-007
TL;DR: 3H-007 (CAS 338406-62-5) is a chemical compound with molecular formula C20H15Cl2F6N5O2S and molecular weight 573.02 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]-4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]sulfonylpiperazine
Also Known As: 3H-007, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-({1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrol-2-yl}sulfonyl)piperazine, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]sulfonylpiperazine, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-({1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrol-2-yl}sulfonyl)piperazine, 1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-4-((1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-1H-PYRROL-2-YL)SULFONYL)PIPERAZINE
| Molecular Formula | C20H15Cl2F6N5O2S |
|---|---|
| Molecular Weight | 573.02 g/mol |
| LogP | 5.1226 |
| Topological Polar Surface Area | 71.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 573.02277 |
| Heavy Atoms | 36 |
| Complexity | 1385.965 |
Chemical Identifiers
| CAS Number | 338406-62-5 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)S(=O)(=O)C3=CC=CN3C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
3H-007 (CAS 338406-62-5), with molecular formula C20H15Cl2F6N5O2S and molecular weight 573.02 g/mol. IUPAC: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]sulfonylpiperazine.
Chemical Property Profile of 3H-007
Property Insights of 3H-007
The XLogP value of 5.1226 indicates that 3H-007 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-007. Following Lipinski's Rule of Five, 3H-007 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3H-007?
The CAS number of 3H-007 is 338406-62-5.
What is the molecular formula of 3H-007?
The molecular formula of 3H-007 is C20H15Cl2F6N5O2S.
What is the molecular weight of 3H-007?
The molecular weight of 3H-007 is 573.02 g/mol.
Where can I buy 3H-007?
You can request a quote for 3H-007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-007?
Yes, KEHONG BIO provides custom synthesis services for 3H-007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.