![1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl N-[(benzyloxy)carbonyl]-O-tert-butylthreoninate structure](/static/products/117/117222-01-2.png)
1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl N-[(benzyloxy)carbonyl]-O-tert-butylthreoninate
TL;DR: 1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl N-[(benzyloxy)carbonyl]-O-tert-butylthreoninate (CAS 117222-01-2) is a chemical compound with molecular formula C25H30N2O7 and molecular weight 470.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl) 3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoate
Also Known As: 1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl N-[(benzyloxy)carbonyl]-O-tert-butylthreoninate, 1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl 2-(((benzyloxy)carbonyl)amino)-3-(tert-butoxy)butanoate
| Molecular Formula | C25H30N2O7 |
|---|---|
| Molecular Weight | 470.21 g/mol |
| LogP | 2.7503 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.2053 |
| Heavy Atoms | 34 |
| Complexity | 970.2666 |
Chemical Identifiers
| CAS Number | 117222-01-2 |
|---|---|
| SMILES | CC(C(C(=O)ON1C(=O)C2C3CC(C2C1=O)C=C3)NC(=O)OCC4=CC=CC=C4)OC(C)(C)C |
Product Overview
1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl N-[(benzyloxy)carbonyl]-O-tert-butylthreoninate (CAS 117222-01-2), with molecular formula C25H30N2O7 and molecular weight 470.21 g/mol. IUPAC: (3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl) 3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of 1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl N-[(benzyloxy)carbonyl]-O-tert-butylthreoninate
Property Insights of 1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl N-[(benzyloxy)carbonyl]-O-tert-butylthreoninate
The XLogP value of 2.7503 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl N-[(benzyloxy)carbonyl]-O-tert-butylthreoninate. The TPSA of 111.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl N-[(benzyloxy)carbonyl]-O-tert-butylthreoninate. Following Lipinski's Rule of Five, 1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl N-[(benzyloxy)carbonyl]-O-tert-butylthreoninate has 1 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 1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl N-[(benzyloxy)carbonyl]-O-tert-butylthreoninate?
The CAS number of 1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl N-[(benzyloxy)carbonyl]-O-tert-butylthreoninate is 117222-01-2.
What is the molecular formula of 1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl N-[(benzyloxy)carbonyl]-O-tert-butylthreoninate?
The molecular formula of 1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl N-[(benzyloxy)carbonyl]-O-tert-butylthreoninate is C25H30N2O7.
What is the molecular weight of 1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl N-[(benzyloxy)carbonyl]-O-tert-butylthreoninate?
The molecular weight of 1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl N-[(benzyloxy)carbonyl]-O-tert-butylthreoninate is 470.21 g/mol.
Where can I buy 1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl N-[(benzyloxy)carbonyl]-O-tert-butylthreoninate?
You can request a quote for 1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl N-[(benzyloxy)carbonyl]-O-tert-butylthreoninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl N-[(benzyloxy)carbonyl]-O-tert-butylthreoninate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl N-[(benzyloxy)carbonyl]-O-tert-butylthreoninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.