Austrobailignan 1
TL;DR: Austrobailignan 1 (CAS 55955-07-2) is a chemical compound with molecular formula C21H18O7 and molecular weight 382.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,5aR,8aR)-5-(7-methoxy-1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
Also Known As: Austrobailignan 1, Austrobai-lignan-1, NCI60_002451, AUSTROBAILIGNAN-1 (B809654K048), B809654K048
| Molecular Formula | C21H18O7 |
|---|---|
| Molecular Weight | 382.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.10526 |
| Heavy Atoms | 28 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 55955-07-2 |
|---|---|
| SMILES | COC1=CC(=CC2=C1OCO2)[C@H]3[C@@H]4[C@@H](CC5=CC6=C(C=C35)OCO6)COC4=O |
| InChIKey | GROYKMASYUMFER-RQUSPXKASA-N |
Product Overview
Austrobailignan 1 (CAS 55955-07-2), with molecular formula C21H18O7 and molecular weight 382.11 g/mol. IUPAC: (5R,5aR,8aR)-5-(7-methoxy-1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one.
Chemical Property Profile of Austrobailignan 1
Property Insights of Austrobailignan 1
The XLogP value of 3.2 indicates that Austrobailignan 1 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 Austrobailignan 1. Following Lipinski's Rule of Five, Austrobailignan 1 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 Austrobailignan 1?
The CAS number of Austrobailignan 1 is 55955-07-2.
What is the molecular formula of Austrobailignan 1?
The molecular formula of Austrobailignan 1 is C21H18O7.
What is the molecular weight of Austrobailignan 1?
The molecular weight of Austrobailignan 1 is 382.11 g/mol.
Where can I buy Austrobailignan 1?
You can request a quote for Austrobailignan 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Austrobailignan 1?
Yes, KEHONG BIO provides custom synthesis services for Austrobailignan 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.