3H-904
TL;DR: 3H-904 (CAS 338409-91-9) is a chemical compound with molecular formula C23H13Cl2F6N5O2 and molecular weight 575.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-N'-methyl-2-oxoacetohydrazide
Also Known As: 3H-904, N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]-N'-methyl-2-oxoacetohydrazide, N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-indol-3-yl}-N'-methyl-2-oxoacetohydrazide, N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indol-3-yl}-N'-methyl-2-oxoacetohydrazide, 1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-I+/--oxo-1H-indole-3-acetic acid 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazide
| Molecular Formula | C23H13Cl2F6N5O2 |
|---|---|
| Molecular Weight | 575.04 g/mol |
| LogP | 6.1152 |
| Topological Polar Surface Area | 80.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 575.03503 |
| Heavy Atoms | 38 |
| Complexity | 1568.4224 |
Chemical Identifiers
| CAS Number | 338409-91-9 |
|---|---|
| SMILES | CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)NC(=O)C(=O)C2=CN(C3=CC=CC=C32)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
3H-904 (CAS 338409-91-9), with molecular formula C23H13Cl2F6N5O2 and molecular weight 575.04 g/mol. IUPAC: N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-N'-methyl-2-oxoacetohydrazide.
Chemical Property Profile of 3H-904
Property Insights of 3H-904
The XLogP value of 6.1152 indicates that 3H-904 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-904. Following Lipinski's Rule of Five, 3H-904 has 1 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-904?
The CAS number of 3H-904 is 338409-91-9.
What is the molecular formula of 3H-904?
The molecular formula of 3H-904 is C23H13Cl2F6N5O2.
What is the molecular weight of 3H-904?
The molecular weight of 3H-904 is 575.04 g/mol.
Where can I buy 3H-904?
You can request a quote for 3H-904 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-904?
Yes, KEHONG BIO provides custom synthesis services for 3H-904 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.