![(S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-(1H-indol-3-yl)propanoate structure](/static/products/956/956044-98-7.png)
(S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-(1H-indol-3-yl)propanoate
TL;DR: (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-(1H-indol-3-yl)propanoate (CAS 956044-98-7) is a chemical compound with molecular formula C21H21N3O5 and molecular weight 395.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-(1H-indol-3-yl)propanoate
Also Known As: (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-(1H-indol-3-yl)propanoate, methyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-(1H-indol-3-yl)propanoate
| Molecular Formula | C21H21N3O5 |
|---|---|
| Molecular Weight | 395.15 g/mol |
| LogP | 2.8449 |
| Topological Polar Surface Area | 101.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.14813 |
| Heavy Atoms | 29 |
| Complexity | 1045.7275 |
Chemical Identifiers
| CAS Number | 956044-98-7 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)NC3=CC4=C(C=C3)OCCO4 |
Product Overview
(S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-(1H-indol-3-yl)propanoate (CAS 956044-98-7), with molecular formula C21H21N3O5 and molecular weight 395.15 g/mol. IUPAC: methyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-(1H-indol-3-yl)propanoate.
Chemical Property Profile of (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-(1H-indol-3-yl)propanoate
Property Insights of (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-(1H-indol-3-yl)propanoate
The XLogP value of 2.8449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-(1H-indol-3-yl)propanoate. The TPSA of 101.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-(1H-indol-3-yl)propanoate. Following Lipinski's Rule of Five, (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-(1H-indol-3-yl)propanoate has 3 hydrogen bond donor(s) and 5 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 (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-(1H-indol-3-yl)propanoate?
The CAS number of (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-(1H-indol-3-yl)propanoate is 956044-98-7.
What is the molecular formula of (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-(1H-indol-3-yl)propanoate?
The molecular formula of (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-(1H-indol-3-yl)propanoate is C21H21N3O5.
What is the molecular weight of (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-(1H-indol-3-yl)propanoate?
The molecular weight of (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-(1H-indol-3-yl)propanoate is 395.15 g/mol.
Where can I buy (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-(1H-indol-3-yl)propanoate?
You can request a quote for (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-(1H-indol-3-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-(1H-indol-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-(1H-indol-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.