Coumarin 527
TL;DR: Coumarin 527 (CAS 72102-92-2) is a chemical compound with molecular formula C21H20N2O2S and molecular weight 364.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4-methylchromen-2-one
Also Known As: Coumarin 527, 2H-1-Benzopyran-2-one, 3-(2-benzothiazolyl)-7-(diethylamino)-4-methyl-, 3-(2-benzothiazolyl)-7-(diethylamino)-4-methylcoumarin, 3-(Benzothiazol-2-yl)-7-(diethylamino)-4-methyl-2-benzopyrone, 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4-methyl-2H-chromen-2-one
| Molecular Formula | C21H20N2O2S |
|---|---|
| Molecular Weight | 364.12 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.12454 |
| Heavy Atoms | 26 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 72102-92-2 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=NC4=CC=CC=C4S3)C |
| InChIKey | JSMSNRWNQKNTOW-UHFFFAOYSA-N |
Product Overview
Coumarin 527 (CAS 72102-92-2), with molecular formula C21H20N2O2S and molecular weight 364.12 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4-methylchromen-2-one.
Chemical Property Profile of Coumarin 527
Property Insights of Coumarin 527
The XLogP value of 4.8 indicates that Coumarin 527 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin 527. Following Lipinski's Rule of Five, Coumarin 527 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 527?
The CAS number of Coumarin 527 is 72102-92-2.
What is the molecular formula of Coumarin 527?
The molecular formula of Coumarin 527 is C21H20N2O2S.
What is the molecular weight of Coumarin 527?
The molecular weight of Coumarin 527 is 364.12 g/mol.
Where can I buy Coumarin 527?
You can request a quote for Coumarin 527 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin 527?
Yes, KEHONG BIO provides custom synthesis services for Coumarin 527 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.