Dimethyl 2-(adamantane-1-carbonyl)malonate
TL;DR: Dimethyl 2-(adamantane-1-carbonyl)malonate (CAS 207511-53-3) is a chemical compound with molecular formula C16H22O5 and molecular weight 294.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(adamantane-1-carbonyl)propanedioate
Also Known As: dimethyl adamantanoylmalonate, dimethyl (1-adamantylcarbonyl)malonate, DIMETHYL 2-(ADAMANTANE-1-CARBONYL)MALONATE, Dimethyl 2-(adamantane-1-carbonyl)propanedioate, 2-(Adamantane-1-carbonyl)-malonic acid dimethyl ester
| Molecular Formula | C16H22O5 |
|---|---|
| Molecular Weight | 294.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.14673 |
| Heavy Atoms | 21 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 207511-53-3 |
|---|---|
| SMILES | COC(=O)C(C(=O)C12CC3CC(C1)CC(C3)C2)C(=O)OC |
| InChIKey | DPNGGFRBCDHWDJ-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-(adamantane-1-carbonyl)malonate (CAS 207511-53-3), with molecular formula C16H22O5 and molecular weight 294.15 g/mol. IUPAC: dimethyl 2-(adamantane-1-carbonyl)propanedioate.
Chemical Property Profile of Dimethyl 2-(adamantane-1-carbonyl)malonate
Property Insights of Dimethyl 2-(adamantane-1-carbonyl)malonate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(adamantane-1-carbonyl)malonate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(adamantane-1-carbonyl)malonate. Following Lipinski's Rule of Five, Dimethyl 2-(adamantane-1-carbonyl)malonate has 0 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 Dimethyl 2-(adamantane-1-carbonyl)malonate?
The CAS number of Dimethyl 2-(adamantane-1-carbonyl)malonate is 207511-53-3.
What is the molecular formula of Dimethyl 2-(adamantane-1-carbonyl)malonate?
The molecular formula of Dimethyl 2-(adamantane-1-carbonyl)malonate is C16H22O5.
What is the molecular weight of Dimethyl 2-(adamantane-1-carbonyl)malonate?
The molecular weight of Dimethyl 2-(adamantane-1-carbonyl)malonate is 294.15 g/mol.
Where can I buy Dimethyl 2-(adamantane-1-carbonyl)malonate?
You can request a quote for Dimethyl 2-(adamantane-1-carbonyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(adamantane-1-carbonyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(adamantane-1-carbonyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.