![methyl 3-({3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate structure](/static/products/840/840463-32-3.png)
methyl 3-({3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate
TL;DR: methyl 3-({3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate (CAS 840463-32-3) is a chemical compound with molecular formula C25H27FN4O5 and molecular weight 482.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-5-fluoro-1H-indole-2-carboxylate
Also Known As: methyl 3-({3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate, methyl 3-(3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)propanamido)-5-fluoro-1H-indole-2-carboxylate, methyl 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-5-fluoro-1H-indole-2-carboxylate, REGID_for_CID_662059
| Molecular Formula | C25H27FN4O5 |
|---|---|
| Molecular Weight | 482.20 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 96.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 482.19653 |
| Heavy Atoms | 35 |
| Complexity | 751.0 |
Chemical Identifiers
| CAS Number | 840463-32-3 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)CCN3CCN(CC3)CC4=CC5=C(C=C4)OCO5 |
| InChIKey | ZJTSYYRVMQIOTN-UHFFFAOYSA-N |
Product Overview
methyl 3-({3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate (CAS 840463-32-3), with molecular formula C25H27FN4O5 and molecular weight 482.20 g/mol. IUPAC: methyl 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-5-fluoro-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 3-({3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate
Property Insights of methyl 3-({3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate
The XLogP value of 3.2 indicates that methyl 3-({3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-({3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-({3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate has 2 hydrogen bond donor(s) and 8 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 methyl 3-({3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate?
The CAS number of methyl 3-({3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate is 840463-32-3.
What is the molecular formula of methyl 3-({3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate?
The molecular formula of methyl 3-({3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate is C25H27FN4O5.
What is the molecular weight of methyl 3-({3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate?
The molecular weight of methyl 3-({3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate is 482.20 g/mol.
Where can I buy methyl 3-({3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate?
You can request a quote for methyl 3-({3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-({3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-({3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.