双环醇
TL;DR: 双环醇 (CAS 118159-48-1) is a chemical compound with molecular formula C19H18O9 and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双环醇
methyl 4-[5-(hydroxymethyl)-7-methoxy-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylate
Also Known As: bicyclol, Bicyclol [WHO-DD], Fmoc-Val-Cit-PAB, Bicyclol, >=98% (HPLC), Methyl 5'-(hydroxymethyl)-7,7'-dimethoxy-[4,4'-bibenzo[d][1,3]dioxole]-5-carboxylate
| Molecular Formula | C19H18O9 |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 2.1071 |
| Topological Polar Surface Area | 101.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.0951 |
| Heavy Atoms | 28 |
| Complexity | 951.3961 |
Chemical Identifiers
| CAS Number | 118159-48-1 |
|---|---|
| SMILES | COC1=C2C(=C(C(=C1)CO)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2 |
Product Overview
双环醇 (CAS 118159-48-1), with molecular formula C19H18O9 and molecular weight 390.10 g/mol. IUPAC: methyl 4-[5-(hydroxymethyl)-7-methoxy-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of 双环醇
Property Insights of 双环醇
The XLogP value of 2.1071 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 双环醇. The TPSA of 101.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 双环醇. Following Lipinski's Rule of Five, 双环醇 has 1 hydrogen bond donor(s) and 9 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 双环醇?
The CAS number of 双环醇 is 118159-48-1.
What is the molecular formula of 双环醇?
The molecular formula of 双环醇 is C19H18O9.
What is the molecular weight of 双环醇?
The molecular weight of 双环醇 is 390.10 g/mol.
Where can I buy 双环醇?
You can request a quote for 双环醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双环醇?
Yes, KEHONG BIO provides custom synthesis services for 双环醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.