Coumarin 314T
TL;DR: Coumarin 314T (CAS 113870-16-9) is a chemical compound with molecular formula C22H27NO4 and molecular weight 369.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 10,10,16,16-tetramethyl-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 314T, Coumarin 504T, Coumarin314t, Coumarin 314T, Coumarin 504T, 2-tert-butylsulfanylseleninylethanamine
| Molecular Formula | C22H27NO4 |
|---|---|
| Molecular Weight | 369.19 g/mol |
| LogP | 4.1387 |
| Topological Polar Surface Area | 59.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 369.194 |
| Heavy Atoms | 27 |
| Complexity | 997.5204 |
Chemical Identifiers
| CAS Number | 113870-16-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=CC3=C4C(=C2OC1=O)C(CCN4CCC3(C)C)(C)C |
Product Overview
Coumarin 314T (CAS 113870-16-9), with molecular formula C22H27NO4 and molecular weight 369.19 g/mol. IUPAC: ethyl 10,10,16,16-tetramethyl-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 314T
Property Insights of Coumarin 314T
The XLogP value of 4.1387 indicates that Coumarin 314T is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.75 Ų, Coumarin 314T exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarin 314T 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 314T?
The CAS number of Coumarin 314T is 113870-16-9.
What is the molecular formula of Coumarin 314T?
The molecular formula of Coumarin 314T is C22H27NO4.
What is the molecular weight of Coumarin 314T?
The molecular weight of Coumarin 314T is 369.19 g/mol.
Where can I buy Coumarin 314T?
You can request a quote for Coumarin 314T directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin 314T?
Yes, KEHONG BIO provides custom synthesis services for Coumarin 314T and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.