三环(3.3.1.13,7)癸烷-1,3-二基双(乙酸)
TL;DR: 三环(3.3.1.13,7)癸烷-1,3-二基双(乙酸) (CAS 17768-28-4) is a chemical compound with molecular formula C14H20O4 and molecular weight 252.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三环(3.3.1.13,7)癸烷-1,3-二基双(乙酸)
2-[3-(carboxymethyl)-1-adamantyl]acetic acid
Also Known As: 1,3-Adamantanediacetic acid, 2,2'-(Adamantane-1,3-diyl)diacetic acid, 1,3-AdamantanediaceticAcid, ChemDiv3_000197, 2-[3-(carboxymethyl)-1-adamantyl]acetic acid
| Molecular Formula | C14H20O4 |
|---|---|
| Molecular Weight | 252.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.13615 |
| Heavy Atoms | 18 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 17768-28-4 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)CC(=O)O)CC(=O)O |
| InChIKey | UTENGZNBNPABQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三环(3.3.1.13,7)癸烷-1,3-二基双(乙酸) (CAS 17768-28-4), with molecular formula C14H20O4 and molecular weight 252.14 g/mol. IUPAC: 2-[3-(carboxymethyl)-1-adamantyl]acetic acid.
Chemical Property Profile of 三环(3.3.1.13,7)癸烷-1,3-二基双(乙酸)
Property Insights of 三环(3.3.1.13,7)癸烷-1,3-二基双(乙酸)
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三环(3.3.1.13,7)癸烷-1,3-二基双(乙酸). The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 三环(3.3.1.13,7)癸烷-1,3-二基双(乙酸). Following Lipinski's Rule of Five, 三环(3.3.1.13,7)癸烷-1,3-二基双(乙酸) has 2 hydrogen bond donor(s) and 4 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 三环(3.3.1.13,7)癸烷-1,3-二基双(乙酸)?
The CAS number of 三环(3.3.1.13,7)癸烷-1,3-二基双(乙酸) is 17768-28-4.
What is the molecular formula of 三环(3.3.1.13,7)癸烷-1,3-二基双(乙酸)?
The molecular formula of 三环(3.3.1.13,7)癸烷-1,3-二基双(乙酸) is C14H20O4.
What is the molecular weight of 三环(3.3.1.13,7)癸烷-1,3-二基双(乙酸)?
The molecular weight of 三环(3.3.1.13,7)癸烷-1,3-二基双(乙酸) is 252.14 g/mol.
Where can I buy 三环(3.3.1.13,7)癸烷-1,3-二基双(乙酸)?
You can request a quote for 三环(3.3.1.13,7)癸烷-1,3-二基双(乙酸) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三环(3.3.1.13,7)癸烷-1,3-二基双(乙酸)?
Yes, KEHONG BIO provides custom synthesis services for 三环(3.3.1.13,7)癸烷-1,3-二基双(乙酸) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.