1,4-苯并二噁烷-6-基乙酸
TL;DR: 1,4-苯并二噁烷-6-基乙酸 (CAS 17253-11-1) 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.
1,4-苯并二噁烷-6-基乙酸
2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
Also Known As: null, 1,4-Benzodioxan-6-ylacetic acid, 2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetic acid, (2,3-Dihydro-benzo[1,4]dioxin-6-yl)-acetic acid, 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 17253-11-1 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)CC(=O)O |
| InChIKey | BVRNERFWPQRVJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-苯并二噁烷-6-基乙酸 (CAS 17253-11-1), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid.
Chemical Property Profile of 1,4-苯并二噁烷-6-基乙酸
Property Insights of 1,4-苯并二噁烷-6-基乙酸
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-苯并二噁烷-6-基乙酸. With a topological polar surface area (TPSA) of 55.8 Ų, 1,4-苯并二噁烷-6-基乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-苯并二噁烷-6-基乙酸 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 1,4-苯并二噁烷-6-基乙酸?
The CAS number of 1,4-苯并二噁烷-6-基乙酸 is 17253-11-1.
What is the molecular formula of 1,4-苯并二噁烷-6-基乙酸?
The molecular formula of 1,4-苯并二噁烷-6-基乙酸 is C10H10O4.
What is the molecular weight of 1,4-苯并二噁烷-6-基乙酸?
The molecular weight of 1,4-苯并二噁烷-6-基乙酸 is 194.06 g/mol.
Where can I buy 1,4-苯并二噁烷-6-基乙酸?
You can request a quote for 1,4-苯并二噁烷-6-基乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-苯并二噁烷-6-基乙酸?
Yes, KEHONG BIO provides custom synthesis services for 1,4-苯并二噁烷-6-基乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.