Maybridge1_003660
TL;DR: Maybridge1_003660 (CAS 40106-36-3) is a chemical compound with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylate
Also Known As: Maybridge1_003660, BAS 04804928, 2-ETHOXYCARBONYL-3,4,5,6,7,8-HEXAHYDRO(1)BENZOTHIENO(2,3-D)PYRIMIDIN-4-ONE, ethyl 4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2-carboxylate, ethyl 4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylate
| Molecular Formula | C13H14N2O3S |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.0725 |
| Heavy Atoms | 19 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 40106-36-3 |
|---|---|
| SMILES | CCOC(=O)C1=NC2=C(C3=C(S2)CCCC3)C(=O)N1 |
| InChIKey | YDXBADCWZQEAFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Maybridge1_003660 (CAS 40106-36-3), with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol. IUPAC: ethyl 4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylate.
Chemical Property Profile of Maybridge1_003660
Property Insights of Maybridge1_003660
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Maybridge1_003660. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Maybridge1_003660. Following Lipinski's Rule of Five, Maybridge1_003660 has 1 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 Maybridge1_003660?
The CAS number of Maybridge1_003660 is 40106-36-3.
What is the molecular formula of Maybridge1_003660?
The molecular formula of Maybridge1_003660 is C13H14N2O3S.
What is the molecular weight of Maybridge1_003660?
The molecular weight of Maybridge1_003660 is 278.07 g/mol.
Where can I buy Maybridge1_003660?
You can request a quote for Maybridge1_003660 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Maybridge1_003660?
Yes, KEHONG BIO provides custom synthesis services for Maybridge1_003660 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.