Monocillin I
TL;DR: Monocillin I (CAS 75207-13-5) is a chemical compound with molecular formula C18H18O6 and molecular weight 330.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,6R,8R,9Z,11E)-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
Also Known As: Monocillin I, 6-(7,8-Epoxy-10-hydroxy-2-oxo-3,5-undecadienyl)-beta-resorcylic acid mu-lactone, (4R,6R,8R,9Z,11E)-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo(13.4.0.06,8)nonadeca-1(15),9,11,16,18-pentaene-2,13-dione, 6H-Oxireno(e)(2)benzoxacyclotetradecin-6,12(7H)-dione,1a,14,15,15a-tetrahydro-9,11-dihydroxy-14-methyl-, (1aR,2Z,4E,14R,15aR)-, RefChem:159544
| Molecular Formula | C18H18O6 |
|---|---|
| Molecular Weight | 330.11 g/mol |
| LogP | 2.0382 |
| Topological Polar Surface Area | 96.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 330.11035 |
| Heavy Atoms | 24 |
| Complexity | 733.2697 |
Chemical Identifiers
| CAS Number | 75207-13-5 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2[C@H](O2)/C=C\C=C\C(=O)CC3=C(C(=CC(=C3)O)O)C(=O)O1 |
Product Overview
Monocillin I (CAS 75207-13-5), with molecular formula C18H18O6 and molecular weight 330.11 g/mol. IUPAC: (4R,6R,8R,9Z,11E)-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione.
Chemical Property Profile of Monocillin I
Property Insights of Monocillin I
The XLogP value of 2.0382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monocillin I. The TPSA of 96.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Monocillin I. Following Lipinski's Rule of Five, Monocillin I has 2 hydrogen bond donor(s) and 6 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 Monocillin I?
The CAS number of Monocillin I is 75207-13-5.
What is the molecular formula of Monocillin I?
The molecular formula of Monocillin I is C18H18O6.
What is the molecular weight of Monocillin I?
The molecular weight of Monocillin I is 330.11 g/mol.
Where can I buy Monocillin I?
You can request a quote for Monocillin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monocillin I?
Yes, KEHONG BIO provides custom synthesis services for Monocillin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.