8H-955
TL;DR: 8H-955 (CAS 339099-35-3) is a chemical compound with molecular formula C23H17ClF3N5OS and molecular weight 503.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]acetyl]amino]-3-phenylthiourea
Also Known As: 8H-955, 1-[[2-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]acetyl]amino]-3-phenylthiourea, 2-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-indol-3-yl}-N-[(phenylcarbamothioyl)amino]acetamide, 2-(2-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indol-3-yl}acetyl)-N-phenyl-1-hydrazinecarbothioamide
| Molecular Formula | C23H17ClF3N5OS |
|---|---|
| Molecular Weight | 503.08 g/mol |
| LogP | 5.258 |
| Topological Polar Surface Area | 70.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 503.07944 |
| Heavy Atoms | 34 |
| Complexity | 1357.982 |
Chemical Identifiers
| CAS Number | 339099-35-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NNC(=O)CC2=CN(C3=CC=CC=C32)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
8H-955 (CAS 339099-35-3), with molecular formula C23H17ClF3N5OS and molecular weight 503.08 g/mol. IUPAC: 1-[[2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]acetyl]amino]-3-phenylthiourea.
Chemical Property Profile of 8H-955
Property Insights of 8H-955
The XLogP value of 5.258 indicates that 8H-955 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 8H-955. Following Lipinski's Rule of Five, 8H-955 has 3 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 8H-955?
The CAS number of 8H-955 is 339099-35-3.
What is the molecular formula of 8H-955?
The molecular formula of 8H-955 is C23H17ClF3N5OS.
What is the molecular weight of 8H-955?
The molecular weight of 8H-955 is 503.08 g/mol.
Where can I buy 8H-955?
You can request a quote for 8H-955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8H-955?
Yes, KEHONG BIO provides custom synthesis services for 8H-955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.