AI-981/37088004
TL;DR: AI-981/37088004 (CAS 313981-99-6) is a chemical compound with molecular formula C34H41N3O3 and molecular weight 539.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]indol-1-yl]-3-(4-methylpiperazin-1-yl)propan-2-ol
Also Known As: AI-981/37088004, 1-{3-[1-ethyl-2,2-bis(4-methoxyphenyl)vinyl]-1H-indol-1-yl}-3-(4-methyl-1-piperazinyl)-2-propanol, 1-[3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]indol-1-yl]-3-(4-methylpiperazin-1-yl)propan-2-ol, 1-(3-(1,1-bis(4-methoxyphenyl)but-1-en-2-yl)-1H-indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol, 1-[3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]-1-indolyl]-3-(4-methyl-1-piperazinyl)-2-propanol
| Molecular Formula | C34H41N3O3 |
|---|---|
| Molecular Weight | 539.31 g/mol |
| LogP | 5.6359 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 539.3148 |
| Heavy Atoms | 40 |
| Complexity | 1382.3307 |
Chemical Identifiers
| CAS Number | 313981-99-6 |
|---|---|
| SMILES | CCC(=C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)C3=CN(C4=CC=CC=C43)CC(CN5CCN(CC5)C)O |
Product Overview
AI-981/37088004 (CAS 313981-99-6), with molecular formula C34H41N3O3 and molecular weight 539.31 g/mol. IUPAC: 1-[3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]indol-1-yl]-3-(4-methylpiperazin-1-yl)propan-2-ol.
Chemical Property Profile of AI-981/37088004
Property Insights of AI-981/37088004
The XLogP value of 5.6359 indicates that AI-981/37088004 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, AI-981/37088004 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AI-981/37088004 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 AI-981/37088004?
The CAS number of AI-981/37088004 is 313981-99-6.
What is the molecular formula of AI-981/37088004?
The molecular formula of AI-981/37088004 is C34H41N3O3.
What is the molecular weight of AI-981/37088004?
The molecular weight of AI-981/37088004 is 539.31 g/mol.
Where can I buy AI-981/37088004?
You can request a quote for AI-981/37088004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI-981/37088004?
Yes, KEHONG BIO provides custom synthesis services for AI-981/37088004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.