XGYZBBQVRSDCQM-UHFFFAOYSA-
TL;DR: XGYZBBQVRSDCQM-UHFFFAOYSA- (CAS 93587-46-3) is a chemical compound with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-7,8,9,10-tetrahydropyrimido[1,2-b]isoquinoline-3-carboxylate
Also Known As: XGYZBBQVRSDCQM-UHFFFAOYSA-, 4H-Pyrimido(1,2-b)isoquinoline-3-carboxylic acid, 7,8,9,10-tetrahydro-4-oxo-, ethyl ester, 7,8,9,10-Tetrahydro-4-oxo-4H-pyrimido(1,2-b)isoquinoline-3-carboxylic acid ethyl ester, ethyl 4-oxo-7,8,9,10-tetrahydro-4H-pyrimido[1,2-b]isoquinoline-3-carboxylate, ethyl 4-oxo-7,8,9,10-tetrahydropyrimido[1,2-b]isoquinoline-3-carboxylate
| Molecular Formula | C15H16N2O3 |
|---|---|
| Molecular Weight | 272.12 g/mol |
| LogP | 1.75 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.1161 |
| Heavy Atoms | 20 |
| Complexity | 733.7114 |
Chemical Identifiers
| CAS Number | 93587-46-3 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C2C=C3CCCCC3=CN2C1=O |
Product Overview
XGYZBBQVRSDCQM-UHFFFAOYSA- (CAS 93587-46-3), with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol. IUPAC: ethyl 4-oxo-7,8,9,10-tetrahydropyrimido[1,2-b]isoquinoline-3-carboxylate.
Chemical Property Profile of XGYZBBQVRSDCQM-UHFFFAOYSA-
Property Insights of XGYZBBQVRSDCQM-UHFFFAOYSA-
The XLogP value of 1.75 suggests moderate lipophilicity, balancing water solubility and membrane permeability for XGYZBBQVRSDCQM-UHFFFAOYSA-. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for XGYZBBQVRSDCQM-UHFFFAOYSA-. Following Lipinski's Rule of Five, XGYZBBQVRSDCQM-UHFFFAOYSA- has 0 hydrogen bond donor(s) and 4 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 XGYZBBQVRSDCQM-UHFFFAOYSA-?
The CAS number of XGYZBBQVRSDCQM-UHFFFAOYSA- is 93587-46-3.
What is the molecular formula of XGYZBBQVRSDCQM-UHFFFAOYSA-?
The molecular formula of XGYZBBQVRSDCQM-UHFFFAOYSA- is C15H16N2O3.
What is the molecular weight of XGYZBBQVRSDCQM-UHFFFAOYSA-?
The molecular weight of XGYZBBQVRSDCQM-UHFFFAOYSA- is 272.12 g/mol.
Where can I buy XGYZBBQVRSDCQM-UHFFFAOYSA-?
You can request a quote for XGYZBBQVRSDCQM-UHFFFAOYSA- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for XGYZBBQVRSDCQM-UHFFFAOYSA-?
Yes, KEHONG BIO provides custom synthesis services for XGYZBBQVRSDCQM-UHFFFAOYSA- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.