Maybridge3_003544
TL;DR: Maybridge3_003544 (CAS 375846-30-3) is a chemical compound with molecular formula C14H15NO3S and molecular weight 277.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyano-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate
Also Known As: Maybridge3_003544, IDI1_014931, Ethyl 3-cyano-4,5,6,7-tetrahydro-6,6-dimethyl-4-oxobenzo[c]thiophene-1-carboxylate, Ethyl 3-cyano-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate, ethyl 3-cyano-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate
| Molecular Formula | C14H15NO3S |
|---|---|
| Molecular Weight | 277.08 g/mol |
| LogP | 2.95158 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.07727 |
| Heavy Atoms | 19 |
| Complexity | 592.5676 |
Chemical Identifiers
| CAS Number | 375846-30-3 |
|---|---|
| SMILES | CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)C#N)(C)C |
Product Overview
Maybridge3_003544 (CAS 375846-30-3), with molecular formula C14H15NO3S and molecular weight 277.08 g/mol. IUPAC: ethyl 3-cyano-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate.
Chemical Property Profile of Maybridge3_003544
Property Insights of Maybridge3_003544
The XLogP value of 2.95158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Maybridge3_003544. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Maybridge3_003544. Following Lipinski's Rule of Five, Maybridge3_003544 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 Maybridge3_003544?
The CAS number of Maybridge3_003544 is 375846-30-3.
What is the molecular formula of Maybridge3_003544?
The molecular formula of Maybridge3_003544 is C14H15NO3S.
What is the molecular weight of Maybridge3_003544?
The molecular weight of Maybridge3_003544 is 277.08 g/mol.
Where can I buy Maybridge3_003544?
You can request a quote for Maybridge3_003544 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Maybridge3_003544?
Yes, KEHONG BIO provides custom synthesis services for Maybridge3_003544 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.