BAS 09876386
TL;DR: BAS 09876386 (CAS 876718-02-4) is a chemical compound with molecular formula C20H19N3O6 and molecular weight 397.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-3-cyano-1'-(2-methoxy-2-oxoethyl)-2'-methyl-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate
Also Known As: BAS 09876386, ethyl 2-amino-3-cyano-1'-(2-methoxy-2-oxoethyl)-2'-methyl-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate, Methyl 2-amino-3-cyano-4'-(ethoxycarbonyl)-5'-methyl-2'-oxospiro[4H-1-benzopyran-4,3'-[3H]pyrrole]-1'(2'H)-acetate, Methyl 2-amino-3-cyano-4a(2)-(ethoxycarbonyl)-5a(2)-methyl-2a(2)-oxospiro[4H-1-benzopyran-4,3a(2)-[3H]pyrrole]-1a(2)(2a(2)H)-acetate
| Molecular Formula | C20H19N3O6 |
|---|---|
| Molecular Weight | 397.13 g/mol |
| LogP | 0.86298 |
| Topological Polar Surface Area | 131.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.12738 |
| Heavy Atoms | 29 |
| Complexity | 1019.288 |
Chemical Identifiers
| CAS Number | 876718-02-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=O)C12C3=CC=CC=C3OC(=C2C#N)N)CC(=O)OC)C |
Product Overview
BAS 09876386 (CAS 876718-02-4), with molecular formula C20H19N3O6 and molecular weight 397.13 g/mol. IUPAC: ethyl 2-amino-3-cyano-1'-(2-methoxy-2-oxoethyl)-2'-methyl-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate.
Chemical Property Profile of BAS 09876386
Property Insights of BAS 09876386
The XLogP value of 0.86298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 09876386. The TPSA of 131.95 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09876386. Following Lipinski's Rule of Five, BAS 09876386 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 09876386?
The CAS number of BAS 09876386 is 876718-02-4.
What is the molecular formula of BAS 09876386?
The molecular formula of BAS 09876386 is C20H19N3O6.
What is the molecular weight of BAS 09876386?
The molecular weight of BAS 09876386 is 397.13 g/mol.
Where can I buy BAS 09876386?
You can request a quote for BAS 09876386 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09876386?
Yes, KEHONG BIO provides custom synthesis services for BAS 09876386 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.