Thamnosmin
TL;DR: Thamnosmin (CAS 23631-16-5) is a chemical compound with molecular formula C15H14O4 and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-6-[(2S,3S)-3-prop-1-en-2-yloxiran-2-yl]chromen-2-one
Also Known As: Thamnosmin, Coumarin, 6-(1,2-epoxy-3-methyl-3-butenyl)-7-methoxy-, trans-, 7-methoxy-6-[(2S,3S)-3-prop-1-en-2-yloxiran-2-yl]chromen-2-one, 2H-1-Benzopyran-2-one, 7-methoxy-6-(3-(1-methylethenyl)oxiranyl)-, trans-, 2H-1-Benzopyran-2-one, 7-methoxy-6-[3-(1-methylethenyl)oxiranyl]-, trans-
| Molecular Formula | C15H14O4 |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 48.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.0892 |
| Heavy Atoms | 19 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 23631-16-5 |
|---|---|
| SMILES | CC(=C)[C@H]1[C@@H](O1)C2=C(C=C3C(=C2)C=CC(=O)O3)OC |
| InChIKey | OWHKEKWVODZGMR-GJZGRUSLSA-N |
Product Overview
Thamnosmin (CAS 23631-16-5), with molecular formula C15H14O4 and molecular weight 258.09 g/mol. IUPAC: 7-methoxy-6-[(2S,3S)-3-prop-1-en-2-yloxiran-2-yl]chromen-2-one.
Chemical Property Profile of Thamnosmin
Property Insights of Thamnosmin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thamnosmin. With a topological polar surface area (TPSA) of 48.1 Ų, Thamnosmin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thamnosmin has 0 hydrogen bond donor(s) and 4 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 Thamnosmin?
The CAS number of Thamnosmin is 23631-16-5.
What is the molecular formula of Thamnosmin?
The molecular formula of Thamnosmin is C15H14O4.
What is the molecular weight of Thamnosmin?
The molecular weight of Thamnosmin is 258.09 g/mol.
Where can I buy Thamnosmin?
You can request a quote for Thamnosmin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thamnosmin?
Yes, KEHONG BIO provides custom synthesis services for Thamnosmin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.