COUMARIN 338
TL;DR: COUMARIN 338 (CAS 62669-75-4) is a chemical compound with molecular formula C20H23NO4 and molecular weight 341.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate
Also Known As: COUMARIN 338, Coumarin338, Ethyl2-morpholinecarboxylate, 1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, 1,1-dimethylethyl ester, tert-butyl 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate
| Molecular Formula | C20H23NO4 |
|---|---|
| Molecular Weight | 341.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.16272 |
| Heavy Atoms | 25 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 62669-75-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=CC2=CC3=C4C(=C2OC1=O)CCCN4CCC3 |
| InChIKey | XSHJSSYQUYNTBG-UHFFFAOYSA-N |
Product Overview
COUMARIN 338 (CAS 62669-75-4), with molecular formula C20H23NO4 and molecular weight 341.16 g/mol. IUPAC: tert-butyl 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate.
Chemical Property Profile of COUMARIN 338
Property Insights of COUMARIN 338
The XLogP value of 3.9 indicates that COUMARIN 338 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, COUMARIN 338 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, COUMARIN 338 has 0 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 COUMARIN 338?
The CAS number of COUMARIN 338 is 62669-75-4.
What is the molecular formula of COUMARIN 338?
The molecular formula of COUMARIN 338 is C20H23NO4.
What is the molecular weight of COUMARIN 338?
The molecular weight of COUMARIN 338 is 341.16 g/mol.
Where can I buy COUMARIN 338?
You can request a quote for COUMARIN 338 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for COUMARIN 338?
Yes, KEHONG BIO provides custom synthesis services for COUMARIN 338 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.