3-(苯并二氧戊-5-基)丙酸
TL;DR: 3-(苯并二氧戊-5-基)丙酸 (CAS 2815-95-4) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(苯并二氧戊-5-基)丙酸
3-(1,3-benzodioxol-5-yl)propanoic acid
Also Known As: 3-(3,4-Methylenedioxyphenyl)propionic acid, 1,3-Benzodioxole-5-propanoic acid, 3-(1,3-Benzodioxol-5-yl)propanoic acid, 3- propionicacid, 4ahr
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 2815-95-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CCC(=O)O |
| InChIKey | UIYJGLLTSVRSBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(苯并二氧戊-5-基)丙酸 (CAS 2815-95-4), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)propanoic acid.
Chemical Property Profile of 3-(苯并二氧戊-5-基)丙酸
Property Insights of 3-(苯并二氧戊-5-基)丙酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(苯并二氧戊-5-基)丙酸. With a topological polar surface area (TPSA) of 55.8 Ų, 3-(苯并二氧戊-5-基)丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(苯并二氧戊-5-基)丙酸 has 1 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 3-(苯并二氧戊-5-基)丙酸?
The CAS number of 3-(苯并二氧戊-5-基)丙酸 is 2815-95-4.
What is the molecular formula of 3-(苯并二氧戊-5-基)丙酸?
The molecular formula of 3-(苯并二氧戊-5-基)丙酸 is C10H10O4.
What is the molecular weight of 3-(苯并二氧戊-5-基)丙酸?
The molecular weight of 3-(苯并二氧戊-5-基)丙酸 is 194.06 g/mol.
Where can I buy 3-(苯并二氧戊-5-基)丙酸?
You can request a quote for 3-(苯并二氧戊-5-基)丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(苯并二氧戊-5-基)丙酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(苯并二氧戊-5-基)丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.