Dimethyl 4,8-dihydroxy-1,3-adamantanedicarboxylate
TL;DR: Dimethyl 4,8-dihydroxy-1,3-adamantanedicarboxylate (CAS 55724-17-9) is a chemical compound with molecular formula C14H20O6 and molecular weight 284.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4,8-dihydroxyadamantane-1,3-dicarboxylate
Also Known As: Dimethyl 4,8-dihydroxy-1,3-adamantanedicarboxylate, dimethyl 4,8-dihydroxyadamantane-1,3-dicarboxylate, Dimethyl 4,8-dihydroxy-1,3-adamantanedicarboxylate #, 4,8-Dihydroxyadamantane-1,3-dicarboxylic acid dimethyl ester, Tricyclo[3.3.1.1(3,7)]decane-1,3-dicarboxylic acid, 4,8-dihydroxy-, dimethyl ester
| Molecular Formula | C14H20O6 |
|---|---|
| Molecular Weight | 284.13 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.12598 |
| Heavy Atoms | 20 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 55724-17-9 |
|---|---|
| SMILES | COC(=O)C12CC3CC(C1O)CC(C2)(C3O)C(=O)OC |
| InChIKey | HPYJYDSOJWYLKG-UHFFFAOYSA-N |
Product Overview
Dimethyl 4,8-dihydroxy-1,3-adamantanedicarboxylate (CAS 55724-17-9), with molecular formula C14H20O6 and molecular weight 284.13 g/mol. IUPAC: dimethyl 4,8-dihydroxyadamantane-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 4,8-dihydroxy-1,3-adamantanedicarboxylate
Property Insights of Dimethyl 4,8-dihydroxy-1,3-adamantanedicarboxylate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4,8-dihydroxy-1,3-adamantanedicarboxylate. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4,8-dihydroxy-1,3-adamantanedicarboxylate. Following Lipinski's Rule of Five, Dimethyl 4,8-dihydroxy-1,3-adamantanedicarboxylate has 2 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 4,8-dihydroxy-1,3-adamantanedicarboxylate?
The CAS number of Dimethyl 4,8-dihydroxy-1,3-adamantanedicarboxylate is 55724-17-9.
What is the molecular formula of Dimethyl 4,8-dihydroxy-1,3-adamantanedicarboxylate?
The molecular formula of Dimethyl 4,8-dihydroxy-1,3-adamantanedicarboxylate is C14H20O6.
What is the molecular weight of Dimethyl 4,8-dihydroxy-1,3-adamantanedicarboxylate?
The molecular weight of Dimethyl 4,8-dihydroxy-1,3-adamantanedicarboxylate is 284.13 g/mol.
Where can I buy Dimethyl 4,8-dihydroxy-1,3-adamantanedicarboxylate?
You can request a quote for Dimethyl 4,8-dihydroxy-1,3-adamantanedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 4,8-dihydroxy-1,3-adamantanedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4,8-dihydroxy-1,3-adamantanedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.