ChemDiv3_003395
TL;DR: ChemDiv3_003395 (CAS 370852-89-4) is a chemical compound with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,5-dimethyl-4-oxo-2-phenyl-1,3-dihydrothieno[3,4-d]pyrimidine-7-carboxylate
Also Known As: ChemDiv3_003395, IDI1_021305, BRD-A98192205-001-01-6, ethyl 2,5-dimethyl-4-oxo-2-phenyl-1,3-dihydrothieno[3,4-d]pyrimidine-7-carboxylate, ethyl 2,5-dimethyl-4-oxo-2-phenyl-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate
| Molecular Formula | C17H18N2O3S |
|---|---|
| Molecular Weight | 330.10 g/mol |
| LogP | 3.26142 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.10382 |
| Heavy Atoms | 23 |
| Complexity | 769.6457 |
Chemical Identifiers
| CAS Number | 370852-89-4 |
|---|---|
| SMILES | CCOC(=O)C1=C2C(=C(S1)C)C(=O)NC(N2)(C)C3=CC=CC=C3 |
Product Overview
ChemDiv3_003395 (CAS 370852-89-4), with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol. IUPAC: ethyl 2,5-dimethyl-4-oxo-2-phenyl-1,3-dihydrothieno[3,4-d]pyrimidine-7-carboxylate.
Chemical Property Profile of ChemDiv3_003395
Property Insights of ChemDiv3_003395
The XLogP value of 3.26142 indicates that ChemDiv3_003395 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003395. Following Lipinski's Rule of Five, ChemDiv3_003395 has 2 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 ChemDiv3_003395?
The CAS number of ChemDiv3_003395 is 370852-89-4.
What is the molecular formula of ChemDiv3_003395?
The molecular formula of ChemDiv3_003395 is C17H18N2O3S.
What is the molecular weight of ChemDiv3_003395?
The molecular weight of ChemDiv3_003395 is 330.10 g/mol.
Where can I buy ChemDiv3_003395?
You can request a quote for ChemDiv3_003395 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003395?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003395 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.