11T-0353
TL;DR: 11T-0353 (CAS 955975-73-2) is a chemical compound with molecular formula C27H21N3O4 and molecular weight 451.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1,3-benzodioxol-5-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
Also Known As: 11T-0353, (E)-2-(1,3-benzodioxol-5-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-propenenitrile, (2E)-2-(2H-1,3-benzodioxol-5-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile, (E)-2-(1,3-benzodioxol-5-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile, 2-benzo[1,3]dioxol-5-yl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile
| Molecular Formula | C27H21N3O4 |
|---|---|
| Molecular Weight | 451.15 g/mol |
| LogP | 5.34938 |
| Topological Polar Surface Area | 78.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.1532 |
| Heavy Atoms | 34 |
| Complexity | 1417.8135 |
Chemical Identifiers
| CAS Number | 955975-73-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)OC |
Product Overview
11T-0353 (CAS 955975-73-2), with molecular formula C27H21N3O4 and molecular weight 451.15 g/mol. IUPAC: (E)-2-(1,3-benzodioxol-5-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile.
Chemical Property Profile of 11T-0353
Property Insights of 11T-0353
The XLogP value of 5.34938 indicates that 11T-0353 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 11T-0353. Following Lipinski's Rule of Five, 11T-0353 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11T-0353?
The CAS number of 11T-0353 is 955975-73-2.
What is the molecular formula of 11T-0353?
The molecular formula of 11T-0353 is C27H21N3O4.
What is the molecular weight of 11T-0353?
The molecular weight of 11T-0353 is 451.15 g/mol.
Where can I buy 11T-0353?
You can request a quote for 11T-0353 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11T-0353?
Yes, KEHONG BIO provides custom synthesis services for 11T-0353 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.