![Methyl 2-[[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate structure](/static/products/117/1173672-28-0.png)
Methyl 2-[[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate
TL;DR: Methyl 2-[[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate (CAS 1173672-28-0) is a chemical compound with molecular formula C23H27N3O5 and molecular weight 425.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
Also Known As: Methyl 2-[[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate, methyl N-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-L-phenylalaninate, (S)-methyl 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carboxamido)-3-phenylpropanoate, methyl (2S)-2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
| Molecular Formula | C23H27N3O5 |
|---|---|
| Molecular Weight | 425.20 g/mol |
| LogP | 2.0268 |
| Topological Polar Surface Area | 80.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.19507 |
| Heavy Atoms | 31 |
| Complexity | 912.6829 |
Chemical Identifiers
| CAS Number | 1173672-28-0 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 |
Product Overview
Methyl 2-[[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate (CAS 1173672-28-0), with molecular formula C23H27N3O5 and molecular weight 425.20 g/mol. IUPAC: methyl (2S)-2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenylpropanoate.
Chemical Property Profile of Methyl 2-[[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate
Property Insights of Methyl 2-[[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate
The XLogP value of 2.0268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate. The TPSA of 80.34 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate. Following Lipinski's Rule of Five, Methyl 2-[[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate has 1 hydrogen bond donor(s) and 6 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 2-[[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate?
The CAS number of Methyl 2-[[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate is 1173672-28-0.
What is the molecular formula of Methyl 2-[[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate?
The molecular formula of Methyl 2-[[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate is C23H27N3O5.
What is the molecular weight of Methyl 2-[[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate?
The molecular weight of Methyl 2-[[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate is 425.20 g/mol.
Where can I buy Methyl 2-[[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate?
You can request a quote for Methyl 2-[[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.