BAS 00672986
TL;DR: BAS 00672986 (CAS 329693-25-6) is a chemical compound with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carboxylate
Also Known As: BAS 00672986, ethyl 2-amino-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, 2-Amino-5-oxo-4-pyridin-3-yl-5,6,7,8-tetrahydro-4H-chromene-3-carboxylic acid ethyl ester, Ethyl 2-amino-5-oxo-4-(3-pyridinyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate #, ethyl 2-amino-5-oxo-4-(3-pyridyl)-4H-6,7,8-trihydrochromene-3-carboxylate
| Molecular Formula | C17H18N2O4 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 91.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.12665 |
| Heavy Atoms | 23 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 329693-25-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C3=CN=CC=C3)C(=O)CCC2)N |
| InChIKey | BHKKJCDYVINSOH-UHFFFAOYSA-N |
Product Overview
BAS 00672986 (CAS 329693-25-6), with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol. IUPAC: ethyl 2-amino-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carboxylate.
Chemical Property Profile of BAS 00672986
Property Insights of BAS 00672986
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00672986. The TPSA of 91.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00672986. Following Lipinski's Rule of Five, BAS 00672986 has 1 hydrogen bond donor(s) and 6 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 BAS 00672986?
The CAS number of BAS 00672986 is 329693-25-6.
What is the molecular formula of BAS 00672986?
The molecular formula of BAS 00672986 is C17H18N2O4.
What is the molecular weight of BAS 00672986?
The molecular weight of BAS 00672986 is 314.13 g/mol.
Where can I buy BAS 00672986?
You can request a quote for BAS 00672986 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00672986?
Yes, KEHONG BIO provides custom synthesis services for BAS 00672986 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.