BAS 00751694
TL;DR: BAS 00751694 (CAS 314046-89-4) is a chemical compound with molecular formula C18H18N2O6 and molecular weight 358.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Also Known As: BAS 00751694, 2-methoxyethyl 6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate, AH-034/11650404, 2-methoxyethyl 4-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-6-amino-5-cyano-2-methyl-4 H-pyran-3-carboxylate, 2-methoxyethyl 6-amino-4-(benzo[d][1,3]dioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
| Molecular Formula | C18H18N2O6 |
|---|---|
| Molecular Weight | 358.12 g/mol |
| LogP | 1.68658 |
| Topological Polar Surface Area | 113.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.1165 |
| Heavy Atoms | 26 |
| Complexity | 836.57336 |
Chemical Identifiers
| CAS Number | 314046-89-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(O1)N)C#N)C2=CC3=C(C=C2)OCO3)C(=O)OCCOC |
Product Overview
BAS 00751694 (CAS 314046-89-4), with molecular formula C18H18N2O6 and molecular weight 358.12 g/mol. IUPAC: 2-methoxyethyl 6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate.
Chemical Property Profile of BAS 00751694
Property Insights of BAS 00751694
The XLogP value of 1.68658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00751694. The TPSA of 113.03 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00751694. Following Lipinski's Rule of Five, BAS 00751694 has 1 hydrogen bond donor(s) and 8 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 00751694?
The CAS number of BAS 00751694 is 314046-89-4.
What is the molecular formula of BAS 00751694?
The molecular formula of BAS 00751694 is C18H18N2O6.
What is the molecular weight of BAS 00751694?
The molecular weight of BAS 00751694 is 358.12 g/mol.
Where can I buy BAS 00751694?
You can request a quote for BAS 00751694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00751694?
Yes, KEHONG BIO provides custom synthesis services for BAS 00751694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.