Thamnosmonin
TL;DR: Thamnosmonin (CAS 60094-90-8) is a chemical compound with molecular formula C15H16O5 and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
Also Known As: Thamnosmonin, coumarin, COUMARIN (I), starbld0007293, 6-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
| Molecular Formula | C15H16O5 |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.09976 |
| Heavy Atoms | 20 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 60094-90-8 |
|---|---|
| SMILES | CC(=C)C(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)O |
| InChIKey | PMZIJDMODGMWOR-UHFFFAOYSA-N |
Product Overview
Thamnosmonin (CAS 60094-90-8), with molecular formula C15H16O5 and molecular weight 276.10 g/mol. IUPAC: 6-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one.
Chemical Property Profile of Thamnosmonin
Property Insights of Thamnosmonin
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thamnosmonin. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thamnosmonin. Following Lipinski's Rule of Five, Thamnosmonin has 2 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 Thamnosmonin?
The CAS number of Thamnosmonin is 60094-90-8.
What is the molecular formula of Thamnosmonin?
The molecular formula of Thamnosmonin is C15H16O5.
What is the molecular weight of Thamnosmonin?
The molecular weight of Thamnosmonin is 276.10 g/mol.
Where can I buy Thamnosmonin?
You can request a quote for Thamnosmonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thamnosmonin?
Yes, KEHONG BIO provides custom synthesis services for Thamnosmonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.