U68HH2Sln8
TL;DR: U68HH2Sln8 (CAS 129041-81-2) is a chemical compound with molecular formula C26H20FN3O3 and molecular weight 441.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[(11S)-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-3-(2-hydroxyphenyl)prop-2-enamide
Also Known As: 2-Propenamide, N-(1-(2-fluorophenyl)-3,4,6,7-tetrahydro-4-oxopyrrolo(3,2,1-jk)(1,4)benzodiazepin-3-yl)-3-(2-hydroxyphenyl)-, (S-(E))-
| Molecular Formula | C26H20FN3O3 |
|---|---|
| Molecular Weight | 441.15 g/mol |
| LogP | 3.4271 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.14886 |
| Heavy Atoms | 33 |
| Complexity | 1331.8623 |
Chemical Identifiers
| CAS Number | 129041-81-2 |
|---|---|
| SMILES | C1CN2C(=O)[C@H](N=C(C3=CC=CC1=C32)C4=CC=CC=C4F)NC(=O)/C=C/C5=CC=CC=C5O |
Product Overview
U68HH2Sln8 (CAS 129041-81-2), with molecular formula C26H20FN3O3 and molecular weight 441.15 g/mol. IUPAC: (E)-N-[(11S)-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-3-(2-hydroxyphenyl)prop-2-enamide.
Chemical Property Profile of U68HH2Sln8
Property Insights of U68HH2Sln8
The XLogP value of 3.4271 indicates that U68HH2Sln8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for U68HH2Sln8. Following Lipinski's Rule of Five, U68HH2Sln8 has 2 hydrogen bond donor(s) and 4 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 U68HH2Sln8?
The CAS number of U68HH2Sln8 is 129041-81-2.
What is the molecular formula of U68HH2Sln8?
The molecular formula of U68HH2Sln8 is C26H20FN3O3.
What is the molecular weight of U68HH2Sln8?
The molecular weight of U68HH2Sln8 is 441.15 g/mol.
Where can I buy U68HH2Sln8?
You can request a quote for U68HH2Sln8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for U68HH2Sln8?
Yes, KEHONG BIO provides custom synthesis services for U68HH2Sln8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.