3',4'-亚甲二氧基扁桃酸
TL;DR: 3',4'-亚甲二氧基扁桃酸 (CAS 27738-46-1) is a chemical compound with molecular formula C9H8O5 and molecular weight 196.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3',4'-亚甲二氧基扁桃酸
2-(1,3-benzodioxol-5-yl)-2-hydroxyacetic acid
Also Known As: 3,4-Methylenedioxymandelic acid, 3,4-(Methylenedioxy)mandelic acid, 1,3-Benzodioxole-5-glycolic acid, 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetic acid, alpha-Hydroxy-1,3-benzodioxole-5-acetic acid
| Molecular Formula | C9H8O5 |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.03717 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 27738-46-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(C(=O)O)O |
| InChIKey | CLUJFRCEPFNVHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3',4'-亚甲二氧基扁桃酸 (CAS 27738-46-1), with molecular formula C9H8O5 and molecular weight 196.04 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetic acid.
Chemical Property Profile of 3',4'-亚甲二氧基扁桃酸
Property Insights of 3',4'-亚甲二氧基扁桃酸
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3',4'-亚甲二氧基扁桃酸. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3',4'-亚甲二氧基扁桃酸. Following Lipinski's Rule of Five, 3',4'-亚甲二氧基扁桃酸 has 2 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 3',4'-亚甲二氧基扁桃酸?
The CAS number of 3',4'-亚甲二氧基扁桃酸 is 27738-46-1.
What is the molecular formula of 3',4'-亚甲二氧基扁桃酸?
The molecular formula of 3',4'-亚甲二氧基扁桃酸 is C9H8O5.
What is the molecular weight of 3',4'-亚甲二氧基扁桃酸?
The molecular weight of 3',4'-亚甲二氧基扁桃酸 is 196.04 g/mol.
Where can I buy 3',4'-亚甲二氧基扁桃酸?
You can request a quote for 3',4'-亚甲二氧基扁桃酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3',4'-亚甲二氧基扁桃酸?
Yes, KEHONG BIO provides custom synthesis services for 3',4'-亚甲二氧基扁桃酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.