Clausmarin
TL;DR: Clausmarin (CAS 67604-65-3) is a chemical compound with molecular formula C24H30O5 and molecular weight 398.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-hydroxypropan-2-yl)-3-methyl-14-(2-methylbut-3-en-2-yl)-2,7,16-trioxatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),11,13,17-tetraen-15-one
Also Known As: Clausmarin A, Clausmarin, Clausmarin-A, ClausmarinA, Clausmarin B
| Molecular Formula | C24H30O5 |
|---|---|
| Molecular Weight | 398.21 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.20932 |
| Heavy Atoms | 29 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 67604-65-3 |
|---|---|
| SMILES | CC12CCC(OC1CC3=C(O2)C=C4C(=C3)C=C(C(=O)O4)C(C)(C)C=C)C(C)(C)O |
| InChIKey | KQYZOQQWBTXSDF-UHFFFAOYSA-N |
Product Overview
Clausmarin (CAS 67604-65-3), with molecular formula C24H30O5 and molecular weight 398.21 g/mol. IUPAC: 6-(2-hydroxypropan-2-yl)-3-methyl-14-(2-methylbut-3-en-2-yl)-2,7,16-trioxatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),11,13,17-tetraen-15-one.
Chemical Property Profile of Clausmarin
Property Insights of Clausmarin
The XLogP value of 4.5 indicates that Clausmarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Clausmarin. Following Lipinski's Rule of Five, Clausmarin 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 Clausmarin?
The CAS number of Clausmarin is 67604-65-3.
What is the molecular formula of Clausmarin?
The molecular formula of Clausmarin is C24H30O5.
What is the molecular weight of Clausmarin?
The molecular weight of Clausmarin is 398.21 g/mol.
Where can I buy Clausmarin?
You can request a quote for Clausmarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clausmarin?
Yes, KEHONG BIO provides custom synthesis services for Clausmarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.