Methylrhodomelol
TL;DR: Methylrhodomelol (CAS 100676-08-2) is a chemical compound with molecular formula C14H14Br2O8 and molecular weight 467.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-3,6a-dihydroxy-6-methoxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
Also Known As: Methylrhodomelol, Methyl rhodomelol, From red alga Polysiphonia lanosa, 6-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-3,6a-dihydroxy-6-methoxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one, (3S,3aR,6S,6aS)-6-((2,3-dibromo-4,5-dihydroxyphenyl)methyl)-3,6a-dihydroxy-6-methoxy-3,3a-dihydro-2H-furo(3,2-b)furan-5-one
| Molecular Formula | C14H14Br2O8 |
|---|---|
| Molecular Weight | 467.91 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 467.90555 |
| Heavy Atoms | 24 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 100676-08-2 |
|---|---|
| SMILES | COC1(C(=O)OC2C1(OCC2O)O)CC3=CC(=C(C(=C3Br)Br)O)O |
| InChIKey | QUEJCPPCMOGGFC-UHFFFAOYSA-N |
Product Overview
Methylrhodomelol (CAS 100676-08-2), with molecular formula C14H14Br2O8 and molecular weight 467.91 g/mol. IUPAC: 6-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-3,6a-dihydroxy-6-methoxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one.
Chemical Property Profile of Methylrhodomelol
Property Insights of Methylrhodomelol
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylrhodomelol. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylrhodomelol. Following Lipinski's Rule of Five, Methylrhodomelol has 4 hydrogen bond donor(s) and 8 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 Methylrhodomelol?
The CAS number of Methylrhodomelol is 100676-08-2.
What is the molecular formula of Methylrhodomelol?
The molecular formula of Methylrhodomelol is C14H14Br2O8.
What is the molecular weight of Methylrhodomelol?
The molecular weight of Methylrhodomelol is 467.91 g/mol.
Where can I buy Methylrhodomelol?
You can request a quote for Methylrhodomelol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylrhodomelol?
Yes, KEHONG BIO provides custom synthesis services for Methylrhodomelol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.