Coumarin, 3,4-dihydro-6-methoxy-4,4-dimethyl-
TL;DR: Coumarin, 3,4-dihydro-6-methoxy-4,4-dimethyl- (CAS 29423-73-2) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-4,4-dimethyl-3H-chromen-2-one
Also Known As: 6-Methoxy-4,4-dimethyl-2-chromanone, 6-Methoxy-4,4-dimethyl-2-chromanone #, 6-methoxy-4,4-dimethyl-3H-chromen-2-one, 3,4-dihydro-6-methoxy-4,4-dimethylcoumarin, Coumarin, 3,4-dihydro-6-methoxy-4,4-dimethyl-
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 29423-73-2 |
|---|---|
| SMILES | CC1(CC(=O)OC2=C1C=C(C=C2)OC)C |
| InChIKey | NHHFNOMTLHBWSQ-UHFFFAOYSA-N |
Product Overview
Coumarin, 3,4-dihydro-6-methoxy-4,4-dimethyl- (CAS 29423-73-2), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 6-methoxy-4,4-dimethyl-3H-chromen-2-one.
Chemical Property Profile of Coumarin, 3,4-dihydro-6-methoxy-4,4-dimethyl-
Property Insights of Coumarin, 3,4-dihydro-6-methoxy-4,4-dimethyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin, 3,4-dihydro-6-methoxy-4,4-dimethyl-. With a topological polar surface area (TPSA) of 35.5 Ų, Coumarin, 3,4-dihydro-6-methoxy-4,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarin, 3,4-dihydro-6-methoxy-4,4-dimethyl- has 0 hydrogen bond donor(s) and 3 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, 3,4-dihydro-6-methoxy-4,4-dimethyl-?
The CAS number of Coumarin, 3,4-dihydro-6-methoxy-4,4-dimethyl- is 29423-73-2.
What is the molecular formula of Coumarin, 3,4-dihydro-6-methoxy-4,4-dimethyl-?
The molecular formula of Coumarin, 3,4-dihydro-6-methoxy-4,4-dimethyl- is C12H14O3.
What is the molecular weight of Coumarin, 3,4-dihydro-6-methoxy-4,4-dimethyl-?
The molecular weight of Coumarin, 3,4-dihydro-6-methoxy-4,4-dimethyl- is 206.09 g/mol.
Where can I buy Coumarin, 3,4-dihydro-6-methoxy-4,4-dimethyl-?
You can request a quote for Coumarin, 3,4-dihydro-6-methoxy-4,4-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 3,4-dihydro-6-methoxy-4,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 3,4-dihydro-6-methoxy-4,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.