tert-OMe-byakangelicin
TL;DR: tert-OMe-byakangelicin (CAS 79638-04-3) is a chemical compound with molecular formula C18H20O7 and molecular weight 348.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2-hydroxy-3-methoxy-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one
Also Known As: tert-OMe-byakangelicin, T-OME-BYAKANGELICIN, tert-O-Methyl byakangelicin, HY-N9535, 9-(2-Hydroxy-3-methoxy-3-methylbutoxy)bergapten
| Molecular Formula | C18H20O7 |
|---|---|
| Molecular Weight | 348.12 g/mol |
| LogP | 2.7125 |
| Topological Polar Surface Area | 91.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.1209 |
| Heavy Atoms | 25 |
| Complexity | 951.1084 |
Chemical Identifiers
| CAS Number | 79638-04-3 |
|---|---|
| SMILES | CC(C)(C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)OC |
Product Overview
tert-OMe-byakangelicin (CAS 79638-04-3), with molecular formula C18H20O7 and molecular weight 348.12 g/mol. IUPAC: 9-(2-hydroxy-3-methoxy-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one.
Chemical Property Profile of tert-OMe-byakangelicin
Property Insights of tert-OMe-byakangelicin
The XLogP value of 2.7125 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-OMe-byakangelicin. The TPSA of 91.27 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-OMe-byakangelicin. Following Lipinski's Rule of Five, tert-OMe-byakangelicin has 1 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 tert-OMe-byakangelicin?
The CAS number of tert-OMe-byakangelicin is 79638-04-3.
What is the molecular formula of tert-OMe-byakangelicin?
The molecular formula of tert-OMe-byakangelicin is C18H20O7.
What is the molecular weight of tert-OMe-byakangelicin?
The molecular weight of tert-OMe-byakangelicin is 348.12 g/mol.
Where can I buy tert-OMe-byakangelicin?
You can request a quote for tert-OMe-byakangelicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-OMe-byakangelicin?
Yes, KEHONG BIO provides custom synthesis services for tert-OMe-byakangelicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.