3H-927
TL;DR: 3H-927 (CAS 338410-07-4) is a chemical compound with molecular formula C25H14ClF3N4O and molecular weight 478.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-phenylmethoxyindol-3-yl]methylidene]propanedinitrile
Also Known As: 3H-927, 2-({5-(benzyloxy)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indol-3-yl}methylene)malononitrile, 2-[[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-phenylmethoxyindol-3-yl]methylidene]propanedinitrile, 2-{[5-(benzyloxy)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-indol-3-yl]methylidene}propanedinitrile, 2-[[1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(phenylmethoxy)-1H-indol-3-yl]methylene]propanedinitrile
| Molecular Formula | C25H14ClF3N4O |
|---|---|
| Molecular Weight | 478.08 g/mol |
| LogP | 6.70726 |
| Topological Polar Surface Area | 74.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.0808 |
| Heavy Atoms | 34 |
| Complexity | 1462.5511 |
Chemical Identifiers
| CAS Number | 338410-07-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C=C3C=C(C#N)C#N)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
3H-927 (CAS 338410-07-4), with molecular formula C25H14ClF3N4O and molecular weight 478.08 g/mol. IUPAC: 2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-phenylmethoxyindol-3-yl]methylidene]propanedinitrile.
Chemical Property Profile of 3H-927
Property Insights of 3H-927
The XLogP value of 6.70726 indicates that 3H-927 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-927. Following Lipinski's Rule of Five, 3H-927 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3H-927?
The CAS number of 3H-927 is 338410-07-4.
What is the molecular formula of 3H-927?
The molecular formula of 3H-927 is C25H14ClF3N4O.
What is the molecular weight of 3H-927?
The molecular weight of 3H-927 is 478.08 g/mol.
Where can I buy 3H-927?
You can request a quote for 3H-927 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-927?
Yes, KEHONG BIO provides custom synthesis services for 3H-927 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.