D-异阿托酸
TL;DR: D-异阿托酸 (CAS 6556-37-2) is a chemical compound with molecular formula C18H16O4 and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
D-异阿托酸
(1R,4S)-4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylic acid
Also Known As: D-Isatropic acid, Isatropic acid, trans-(d)-, Isatropic acid, trans-(+)-, alpha-Isatropic acid, (+)-, .ALPHA.-ISATROPIC ACID, (+)-
| Molecular Formula | C18H16O4 |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 3.0193 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.10486 |
| Heavy Atoms | 22 |
| Complexity | 722.87683 |
Chemical Identifiers
| CAS Number | 6556-37-2 |
|---|---|
| SMILES | C1C[C@@](C2=CC=CC=C2[C@@H]1C(=O)O)(C3=CC=CC=C3)C(=O)O |
Product Overview
D-异阿托酸 (CAS 6556-37-2), with molecular formula C18H16O4 and molecular weight 296.10 g/mol. IUPAC: (1R,4S)-4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylic acid.
Chemical Property Profile of D-异阿托酸
Property Insights of D-异阿托酸
The XLogP value of 3.0193 indicates that D-异阿托酸 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 D-异阿托酸. Following Lipinski's Rule of Five, D-异阿托酸 has 2 hydrogen bond donor(s) and 2 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 D-异阿托酸?
The CAS number of D-异阿托酸 is 6556-37-2.
What is the molecular formula of D-异阿托酸?
The molecular formula of D-异阿托酸 is C18H16O4.
What is the molecular weight of D-异阿托酸?
The molecular weight of D-异阿托酸 is 296.10 g/mol.
Where can I buy D-异阿托酸?
You can request a quote for D-异阿托酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-异阿托酸?
Yes, KEHONG BIO provides custom synthesis services for D-异阿托酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.