![dimethyl [?]dicarboxylate structure](/static/products/884/88444-68-2.png)
dimethyl [?]dicarboxylate
TL;DR: dimethyl [?]dicarboxylate (CAS 88444-68-2) is a chemical compound with molecular formula C14H19NO5 and molecular weight 281.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-oxa-2-azatricyclo[5.4.1.04,12]dodec-1-ene-8,8-dicarboxylate
Also Known As: dimethyl [?]dicarboxylate, Dimethyl 4,5,7,8,8a,8b-hexahydro-3H-azuleno(8,1-cd)isoxazole-6,6(6aH)-dicarboxylate, Dimethyl 4,5,7,8,8a,8b-hexahydro-3H-azuleno[8,1-cd][1,2]oxazole-6,6(6aH)-dicarboxylate, Dimethyl 4,5,7,8,8a,8b-hexahydro-3H-azuleno[8,1-cd]isoxazole-6,6(6aH)-dicarboxylate
| Molecular Formula | C14H19NO5 |
|---|---|
| Molecular Weight | 281.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.1263 |
| Heavy Atoms | 20 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 88444-68-2 |
|---|---|
| SMILES | COC(=O)C1(CCCC2=NOC3C2C1CC3)C(=O)OC |
| InChIKey | LPNGYZOHDYOPNL-UHFFFAOYSA-N |
Product Overview
dimethyl [?]dicarboxylate (CAS 88444-68-2), with molecular formula C14H19NO5 and molecular weight 281.13 g/mol. IUPAC: dimethyl 3-oxa-2-azatricyclo[5.4.1.04,12]dodec-1-ene-8,8-dicarboxylate.
Chemical Property Profile of dimethyl [?]dicarboxylate
Property Insights of dimethyl [?]dicarboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl [?]dicarboxylate. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl [?]dicarboxylate. Following Lipinski's Rule of Five, dimethyl [?]dicarboxylate has 0 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 dimethyl [?]dicarboxylate?
The CAS number of dimethyl [?]dicarboxylate is 88444-68-2.
What is the molecular formula of dimethyl [?]dicarboxylate?
The molecular formula of dimethyl [?]dicarboxylate is C14H19NO5.
What is the molecular weight of dimethyl [?]dicarboxylate?
The molecular weight of dimethyl [?]dicarboxylate is 281.13 g/mol.
Where can I buy dimethyl [?]dicarboxylate?
You can request a quote for dimethyl [?]dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl [?]dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl [?]dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.