BAS 09876383
TL;DR: BAS 09876383 (CAS 876717-96-3) is a chemical compound with molecular formula C20H17N3O5 and molecular weight 379.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2'-amino-3'-cyano-2,4-dioxospiro[6,7-dihydro-5H-indole-3,4'-chromene]-1-yl)acetate
Also Known As: BAS 09876383, methyl 2-(2'-amino-3'-cyano-2,4-dioxospiro[6,7-dihydro-5H-indole-3,4'-chromene]-1-yl)acetate, Methyl 2-amino-3-cyano-4',5',6',7'-tetrahydro-2',4'-dioxospiro[4H-1-benzopyran-4,3'-[3H]indole]-1'(2'H)-acetate, Methyl 2-amino-3-cyano-4a(2),5a(2),6a(2),7a(2)-tetrahydro-2a(2),4a(2)-dioxospiro[4H-1-benzopyran-4,3a(2)-[3H]indole]-1a(2)(2a(2)H)-acetate
| Molecular Formula | C20H17N3O5 |
|---|---|
| Molecular Weight | 379.12 g/mol |
| LogP | 1.03298 |
| Topological Polar Surface Area | 122.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 379.11682 |
| Heavy Atoms | 28 |
| Complexity | 1032.5219 |
Chemical Identifiers
| CAS Number | 876717-96-3 |
|---|---|
| SMILES | COC(=O)CN1C2=C(C(=O)CCC2)C3(C1=O)C4=CC=CC=C4OC(=C3C#N)N |
Product Overview
BAS 09876383 (CAS 876717-96-3), with molecular formula C20H17N3O5 and molecular weight 379.12 g/mol. IUPAC: methyl 2-(2'-amino-3'-cyano-2,4-dioxospiro[6,7-dihydro-5H-indole-3,4'-chromene]-1-yl)acetate.
Chemical Property Profile of BAS 09876383
Property Insights of BAS 09876383
The XLogP value of 1.03298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 09876383. The TPSA of 122.72 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09876383. Following Lipinski's Rule of Five, BAS 09876383 has 1 hydrogen bond donor(s) and 7 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 09876383?
The CAS number of BAS 09876383 is 876717-96-3.
What is the molecular formula of BAS 09876383?
The molecular formula of BAS 09876383 is C20H17N3O5.
What is the molecular weight of BAS 09876383?
The molecular weight of BAS 09876383 is 379.12 g/mol.
Where can I buy BAS 09876383?
You can request a quote for BAS 09876383 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09876383?
Yes, KEHONG BIO provides custom synthesis services for BAS 09876383 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.