BAS 07417161
TL;DR: BAS 07417161 (CAS 354554-24-8) is a chemical compound with molecular formula C18H15ClN2O7 and molecular weight 406.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-amino-4-(4-chloro-1,3-benzodioxol-5-yl)-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Also Known As: BAS 07417161, AM-807/13103040, methyl 6-amino-4-(4-chloro-1,3-benzodioxol-5-yl)-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate, methyl 2-[6-amino-4-(4-chloro(2H-benzo[3,4-d]1,3-dioxolan-5-yl))-5-cyano-3-(me thoxycarbonyl)-4H-pyran-2-yl]acetate, methyl 6-amino-4-(4-chlorobenzo[d][1,3]dioxol-5-yl)-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
| Molecular Formula | C18H15ClN2O7 |
|---|---|
| Molecular Weight | 406.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.0568 |
| Heavy Atoms | 28 |
| Complexity | 784.0 |
Chemical Identifiers
| CAS Number | 354554-24-8 |
|---|---|
| SMILES | COC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=C(C3=C(C=C2)OCO3)Cl)C(=O)OC |
| InChIKey | PCTANOUGUNMRIG-UHFFFAOYSA-N |
Product Overview
BAS 07417161 (CAS 354554-24-8), with molecular formula C18H15ClN2O7 and molecular weight 406.06 g/mol. IUPAC: methyl 6-amino-4-(4-chloro-1,3-benzodioxol-5-yl)-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of BAS 07417161
Property Insights of BAS 07417161
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07417161. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07417161. Following Lipinski's Rule of Five, BAS 07417161 has 1 hydrogen bond donor(s) and 9 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 07417161?
The CAS number of BAS 07417161 is 354554-24-8.
What is the molecular formula of BAS 07417161?
The molecular formula of BAS 07417161 is C18H15ClN2O7.
What is the molecular weight of BAS 07417161?
The molecular weight of BAS 07417161 is 406.06 g/mol.
Where can I buy BAS 07417161?
You can request a quote for BAS 07417161 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07417161?
Yes, KEHONG BIO provides custom synthesis services for BAS 07417161 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.