3,3'-(1,4-Phenylene)diadamantane-1-carboxylic acid
TL;DR: 3,3'-(1,4-Phenylene)diadamantane-1-carboxylic acid (CAS 113392-33-9) is a chemical compound with molecular formula C28H34O4 and molecular weight 434.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3-carboxy-1-adamantyl)phenyl]adamantane-1-carboxylic acid
Also Known As: 3,3'-(1,4-phenylene)diadamantane-1-carboxylic acid, 1,4-di(3-carboxy-1-adamantyl)benzene, AH-034/10850019, 3-[4-(3-carboxy-1-adamantyl)phenyl]adamantane-1-carboxylic acid, 1-Propanone,1-(4-chlorophenyl)-3-(1-pyrrolidinyl)
| Molecular Formula | C28H34O4 |
|---|---|
| Molecular Weight | 434.25 g/mol |
| LogP | 5.5318 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.2457 |
| Heavy Atoms | 32 |
| Complexity | 897.7636 |
Chemical Identifiers
| CAS Number | 113392-33-9 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)C(=O)O)C4=CC=C(C=C4)C56CC7CC(C5)CC(C7)(C6)C(=O)O |
Product Overview
3,3'-(1,4-Phenylene)diadamantane-1-carboxylic acid (CAS 113392-33-9), with molecular formula C28H34O4 and molecular weight 434.25 g/mol. IUPAC: 3-[4-(3-carboxy-1-adamantyl)phenyl]adamantane-1-carboxylic acid.
Chemical Property Profile of 3,3'-(1,4-Phenylene)diadamantane-1-carboxylic acid
Property Insights of 3,3'-(1,4-Phenylene)diadamantane-1-carboxylic acid
The XLogP value of 5.5318 indicates that 3,3'-(1,4-Phenylene)diadamantane-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-(1,4-Phenylene)diadamantane-1-carboxylic acid. Following Lipinski's Rule of Five, 3,3'-(1,4-Phenylene)diadamantane-1-carboxylic acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3'-(1,4-Phenylene)diadamantane-1-carboxylic acid?
The CAS number of 3,3'-(1,4-Phenylene)diadamantane-1-carboxylic acid is 113392-33-9.
What is the molecular formula of 3,3'-(1,4-Phenylene)diadamantane-1-carboxylic acid?
The molecular formula of 3,3'-(1,4-Phenylene)diadamantane-1-carboxylic acid is C28H34O4.
What is the molecular weight of 3,3'-(1,4-Phenylene)diadamantane-1-carboxylic acid?
The molecular weight of 3,3'-(1,4-Phenylene)diadamantane-1-carboxylic acid is 434.25 g/mol.
Where can I buy 3,3'-(1,4-Phenylene)diadamantane-1-carboxylic acid?
You can request a quote for 3,3'-(1,4-Phenylene)diadamantane-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-(1,4-Phenylene)diadamantane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-(1,4-Phenylene)diadamantane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.