![(2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoic acid structure](/static/products/956/956382-98-2.png)
(2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoic acid
TL;DR: (2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoic acid (CAS 956382-98-2) is a chemical compound with molecular formula C26H27NO8 and molecular weight 481.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoic acid
Also Known As: (2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoic acid, (R)-2-(2-((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)acetamido)-3-methylbutanoic acid, 2-(2-{[3-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-2-METHYL-4-OXO-4H-CHROMEN-7-YL]OXY}ACETAMIDO)-3-METHYLBUTANOIC ACID, N-({[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetyl)-D-valine
| Molecular Formula | C26H27NO8 |
|---|---|
| Molecular Weight | 481.17 g/mol |
| LogP | 3.53392 |
| Topological Polar Surface Area | 124.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 481.17368 |
| Heavy Atoms | 35 |
| Complexity | 1326.9117 |
Chemical Identifiers
| CAS Number | 956382-98-2 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)N[C@H](C(C)C)C(=O)O)C3=CC4=C(C=C3)OCCCO4 |
Product Overview
(2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoic acid (CAS 956382-98-2), with molecular formula C26H27NO8 and molecular weight 481.17 g/mol. IUPAC: (2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoic acid.
Chemical Property Profile of (2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoic acid
Property Insights of (2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoic acid
The XLogP value of 3.53392 indicates that (2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoic acid. Following Lipinski's Rule of Five, (2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoic acid has 2 hydrogen bond donor(s) and 7 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 (2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoic acid?
The CAS number of (2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoic acid is 956382-98-2.
What is the molecular formula of (2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoic acid?
The molecular formula of (2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoic acid is C26H27NO8.
What is the molecular weight of (2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoic acid?
The molecular weight of (2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoic acid is 481.17 g/mol.
Where can I buy (2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoic acid?
You can request a quote for (2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.