![(S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-methylbutanoate structure](/static/products/958/958960-91-3.png)
(S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-methylbutanoate
TL;DR: (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-methylbutanoate (CAS 958960-91-3) is a chemical compound with molecular formula C15H20N2O5 and molecular weight 308.14 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-methylbutanoate
Also Known As: (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-methylbutanoate, methyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-methylbutanoate
| Molecular Formula | C15H20N2O5 |
|---|---|
| Molecular Weight | 308.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 85.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.1372 |
| Heavy Atoms | 22 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 958960-91-3 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OC)NC(=O)NC1=CC2=C(C=C1)OCCO2 |
| InChIKey | SENAJFYSYBCLRB-ZDUSSCGKSA-N |
Product Overview
(S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-methylbutanoate (CAS 958960-91-3), with molecular formula C15H20N2O5 and molecular weight 308.14 g/mol. IUPAC: methyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-methylbutanoate.
Chemical Property Profile of (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-methylbutanoate
Property Insights of (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-methylbutanoate
The XLogP value of 1.9 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-methylbutanoate. The TPSA of 85.9 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-methylbutanoate. Following Lipinski's Rule of Five, (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-methylbutanoate has 2 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-methylbutanoate?
The CAS number of (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-methylbutanoate is 958960-91-3.
What is the molecular formula of (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-methylbutanoate?
The molecular formula of (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-methylbutanoate is C15H20N2O5.
What is the molecular weight of (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-methylbutanoate?
The molecular weight of (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-methylbutanoate is 308.14 g/mol.
Where can I buy (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-methylbutanoate?
You can request a quote for (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-methylbutanoate 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-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.