C26H24N2O3S
TL;DR: C26H24N2O3S (CAS 500104-75-6) is a chemical compound with molecular formula C26H24N2O3S and molecular weight 444.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[(E)-2-cyano-3-naphthalen-1-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: (E)-isopropyl 2-(2-cyano-3-(naphthalen-1-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methylethyl 2-((2E)-2-cyano-3-naphthylprop-2-enoylamino)-4,5,6,7-tetrahydroben zo[b]thiophene-3-carboxylate, propan-2-yl 2-[[(E)-2-cyano-3-naphthalen-1-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propan-2-yl 2-{[(2E)-2-cyano-3-(naphthalen-1-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C26H24N2O3S |
|---|---|
| Molecular Weight | 444.15 g/mol |
| LogP | 5.89098 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.15076 |
| Heavy Atoms | 32 |
| Complexity | 1258.5529 |
Chemical Identifiers
| CAS Number | 500104-75-6 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C(=C/C3=CC=CC4=CC=CC=C43)/C#N |
Product Overview
C26H24N2O3S (CAS 500104-75-6), with molecular formula C26H24N2O3S and molecular weight 444.15 g/mol. IUPAC: propan-2-yl 2-[[(E)-2-cyano-3-naphthalen-1-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of C26H24N2O3S
Property Insights of C26H24N2O3S
The XLogP value of 5.89098 indicates that C26H24N2O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for C26H24N2O3S. Following Lipinski's Rule of Five, C26H24N2O3S has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C26H24N2O3S?
The CAS number of C26H24N2O3S is 500104-75-6.
What is the molecular formula of C26H24N2O3S?
The molecular formula of C26H24N2O3S is C26H24N2O3S.
What is the molecular weight of C26H24N2O3S?
The molecular weight of C26H24N2O3S is 444.15 g/mol.
Where can I buy C26H24N2O3S?
You can request a quote for C26H24N2O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C26H24N2O3S?
Yes, KEHONG BIO provides custom synthesis services for C26H24N2O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.