2H-955
TL;DR: 2H-955 (CAS 338399-58-9) is a chemical compound with molecular formula C22H23ClF3N5O3 and molecular weight 497.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
Also Known As: 2H-955, [5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl][4-(4-methoxyphenyl)piperazino]methanone, [5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone, 3-chloro-N-({3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)-5-(trifluoromethyl)pyridin-2-amine
| Molecular Formula | C22H23ClF3N5O3 |
|---|---|
| Molecular Weight | 497.14 g/mol |
| LogP | 3.668 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.14417 |
| Heavy Atoms | 34 |
| Complexity | 1056.741 |
Chemical Identifiers
| CAS Number | 338399-58-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=NOC(C3)CNC4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
2H-955 (CAS 338399-58-9), with molecular formula C22H23ClF3N5O3 and molecular weight 497.14 g/mol. IUPAC: [5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
Chemical Property Profile of 2H-955
Property Insights of 2H-955
The XLogP value of 3.668 indicates that 2H-955 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-955. Following Lipinski's Rule of Five, 2H-955 has 1 hydrogen bond donor(s) and 7 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 2H-955?
The CAS number of 2H-955 is 338399-58-9.
What is the molecular formula of 2H-955?
The molecular formula of 2H-955 is C22H23ClF3N5O3.
What is the molecular weight of 2H-955?
The molecular weight of 2H-955 is 497.14 g/mol.
Where can I buy 2H-955?
You can request a quote for 2H-955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-955?
Yes, KEHONG BIO provides custom synthesis services for 2H-955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.