Astraciceran
TL;DR: Astraciceran (CAS 77026-99-4) is a chemical compound with molecular formula C17H16O5 and molecular weight 300.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-methoxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-7-ol
Also Known As: Astraciceran, 7-Hydroxy-2'-methoxy-4',5'-methylenedioxyisoflavan, 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(6-methoxy-1,3-benzodioxol-5-yl)-, 3-(6-methoxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-7-ol, 3-(6-Methoxy-2H-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-1-benzopyran-7-ol
| Molecular Formula | C17H16O5 |
|---|---|
| Molecular Weight | 300.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.09976 |
| Heavy Atoms | 22 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 77026-99-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1C3CC4=C(C=C(C=C4)O)OC3)OCO2 |
| InChIKey | PYIXHKGTJKCVBJ-UHFFFAOYSA-N |
Product Overview
Astraciceran (CAS 77026-99-4), with molecular formula C17H16O5 and molecular weight 300.10 g/mol. IUPAC: 3-(6-methoxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-7-ol.
Chemical Property Profile of Astraciceran
Property Insights of Astraciceran
The XLogP value of 3.1 indicates that Astraciceran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, Astraciceran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Astraciceran has 1 hydrogen bond donor(s) and 5 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 Astraciceran?
The CAS number of Astraciceran is 77026-99-4.
What is the molecular formula of Astraciceran?
The molecular formula of Astraciceran is C17H16O5.
What is the molecular weight of Astraciceran?
The molecular weight of Astraciceran is 300.10 g/mol.
Where can I buy Astraciceran?
You can request a quote for Astraciceran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Astraciceran?
Yes, KEHONG BIO provides custom synthesis services for Astraciceran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.