methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
TL;DR: methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate (CAS 650597-66-3) 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.
methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
Also Known As: ZERO/005239, methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate, J1.995.252E, (S)-2,3-Dihydro-1,4-benzodioxin-2-carboxylic acid methyl ester, METHYL (2S)-2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXYLATE
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 650597-66-3 |
|---|---|
| SMILES | COC(=O)[C@@H]1COC2=CC=CC=C2O1 |
| InChIKey | SNLAAGHHNZECPE-VIFPVBQESA-N |
Product Overview
methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate (CAS 650597-66-3), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate.
Chemical Property Profile of methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
Property Insights of methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate. With a topological polar surface area (TPSA) of 44.8 Ų, methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate has 0 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 methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate?
The CAS number of methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate is 650597-66-3.
What is the molecular formula of methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate?
The molecular formula of methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate is C10H10O4.
What is the molecular weight of methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate?
The molecular weight of methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate is 194.06 g/mol.
Where can I buy methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate?
You can request a quote for methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.