2-(3,4,5-三甲氧基苄基)-3-(3,4-亚甲二氧基苄基)丁内酯
TL;DR: 2-(3,4,5-三甲氧基苄基)-3-(3,4-亚甲二氧基苄基)丁内酯 (CAS 61091-56-3) is a chemical compound with molecular formula C22H24O7 and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4,5-三甲氧基苄基)-3-(3,4-亚甲二氧基苄基)丁内酯
4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
Also Known As: Yatein, (+)-Deoxypodorhizon, (.+-.)-Deoxypodorhizon, PODORHIZON, (+)-DEOXY, PODORHIZON, (+/-)-DEOXY
| Molecular Formula | C22H24O7 |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.1522 |
| Heavy Atoms | 29 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 61091-56-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CC2C(COC2=O)CC3=CC4=C(C=C3)OCO4 |
| InChIKey | GMLDZDDTZKXJLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3,4,5-三甲氧基苄基)-3-(3,4-亚甲二氧基苄基)丁内酯 (CAS 61091-56-3), with molecular formula C22H24O7 and molecular weight 400.15 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one.
Chemical Property Profile of 2-(3,4,5-三甲氧基苄基)-3-(3,4-亚甲二氧基苄基)丁内酯
Property Insights of 2-(3,4,5-三甲氧基苄基)-3-(3,4-亚甲二氧基苄基)丁内酯
The XLogP value of 3.8 indicates that 2-(3,4,5-三甲氧基苄基)-3-(3,4-亚甲二氧基苄基)丁内酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4,5-三甲氧基苄基)-3-(3,4-亚甲二氧基苄基)丁内酯. Following Lipinski's Rule of Five, 2-(3,4,5-三甲氧基苄基)-3-(3,4-亚甲二氧基苄基)丁内酯 has 0 hydrogen bond donor(s) and 7 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 2-(3,4,5-三甲氧基苄基)-3-(3,4-亚甲二氧基苄基)丁内酯?
The CAS number of 2-(3,4,5-三甲氧基苄基)-3-(3,4-亚甲二氧基苄基)丁内酯 is 61091-56-3.
What is the molecular formula of 2-(3,4,5-三甲氧基苄基)-3-(3,4-亚甲二氧基苄基)丁内酯?
The molecular formula of 2-(3,4,5-三甲氧基苄基)-3-(3,4-亚甲二氧基苄基)丁内酯 is C22H24O7.
What is the molecular weight of 2-(3,4,5-三甲氧基苄基)-3-(3,4-亚甲二氧基苄基)丁内酯?
The molecular weight of 2-(3,4,5-三甲氧基苄基)-3-(3,4-亚甲二氧基苄基)丁内酯 is 400.15 g/mol.
Where can I buy 2-(3,4,5-三甲氧基苄基)-3-(3,4-亚甲二氧基苄基)丁内酯?
You can request a quote for 2-(3,4,5-三甲氧基苄基)-3-(3,4-亚甲二氧基苄基)丁内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4,5-三甲氧基苄基)-3-(3,4-亚甲二氧基苄基)丁内酯?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4,5-三甲氧基苄基)-3-(3,4-亚甲二氧基苄基)丁内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.