AI-981/36192005
TL;DR: AI-981/36192005 (CAS 314054-34-7) is a chemical compound with molecular formula C33H29NO4 and molecular weight 503.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-(1H-indol-3-yl)-1-(4-methoxyphenyl)but-1-enyl]phenyl] 4-methoxybenzoate
Also Known As: AI-981/36192005, 4-[(1E)-2-(1H-indol-3-yl)-1-(4-methoxyphenyl)but-1-en-1-yl]phenyl 4-methoxybenzoate, (E)-4-(2-(1H-indol-3-yl)-1-(4-methoxyphenyl)but-1-en-1-yl)phenyl 4-methoxybenzoate, [4-[(E)-2-(1H-indol-3-yl)-1-(4-methoxyphenyl)but-1-enyl]phenyl] 4-methoxybenzoate, 4-[(1E)-2-indol-3-yl-1-(4-methoxyphenyl)but-1-enyl]phenyl 4-methoxybenzoate
| Molecular Formula | C33H29NO4 |
|---|---|
| Molecular Weight | 503.21 g/mol |
| LogP | 7.7734 |
| Topological Polar Surface Area | 60.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 503.20966 |
| Heavy Atoms | 38 |
| Complexity | 1577.465 |
Chemical Identifiers
| CAS Number | 314054-34-7 |
|---|---|
| SMILES | CC/C(=C(/C1=CC=C(C=C1)OC)\C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)/C4=CNC5=CC=CC=C54 |
Product Overview
AI-981/36192005 (CAS 314054-34-7), with molecular formula C33H29NO4 and molecular weight 503.21 g/mol. IUPAC: [4-[(E)-2-(1H-indol-3-yl)-1-(4-methoxyphenyl)but-1-enyl]phenyl] 4-methoxybenzoate.
Chemical Property Profile of AI-981/36192005
Property Insights of AI-981/36192005
The XLogP value of 7.7734 indicates that AI-981/36192005 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AI-981/36192005. Following Lipinski's Rule of Five, AI-981/36192005 has 1 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 AI-981/36192005?
The CAS number of AI-981/36192005 is 314054-34-7.
What is the molecular formula of AI-981/36192005?
The molecular formula of AI-981/36192005 is C33H29NO4.
What is the molecular weight of AI-981/36192005?
The molecular weight of AI-981/36192005 is 503.21 g/mol.
Where can I buy AI-981/36192005?
You can request a quote for AI-981/36192005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI-981/36192005?
Yes, KEHONG BIO provides custom synthesis services for AI-981/36192005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.