BAS 01122786
TL;DR: BAS 01122786 (CAS 332103-91-0) is a chemical compound with molecular formula C17H12ClN3O3 and molecular weight 341.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-amino-5-chloro-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carbonitrile
Also Known As: BAS 01122786, J3.173.654D, A0843/0039532, 2-amino-5'-chloro-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carbonitrile, 2-amino-5'-chloro-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile
| Molecular Formula | C17H12ClN3O3 |
|---|---|
| Molecular Weight | 341.06 g/mol |
| LogP | 2.26108 |
| Topological Polar Surface Area | 105.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 341.05673 |
| Heavy Atoms | 24 |
| Complexity | 925.4987 |
Chemical Identifiers
| CAS Number | 332103-91-0 |
|---|---|
| SMILES | C1CC2=C(C(=O)C1)C3(C4=C(C=CC(=C4)Cl)NC3=O)C(=C(O2)N)C#N |
Product Overview
BAS 01122786 (CAS 332103-91-0), with molecular formula C17H12ClN3O3 and molecular weight 341.06 g/mol. IUPAC: 2'-amino-5-chloro-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carbonitrile.
Chemical Property Profile of BAS 01122786
Property Insights of BAS 01122786
The XLogP value of 2.26108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01122786. The TPSA of 105.21 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01122786. Following Lipinski's Rule of Five, BAS 01122786 has 2 hydrogen bond donor(s) and 5 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 01122786?
The CAS number of BAS 01122786 is 332103-91-0.
What is the molecular formula of BAS 01122786?
The molecular formula of BAS 01122786 is C17H12ClN3O3.
What is the molecular weight of BAS 01122786?
The molecular weight of BAS 01122786 is 341.06 g/mol.
Where can I buy BAS 01122786?
You can request a quote for BAS 01122786 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01122786?
Yes, KEHONG BIO provides custom synthesis services for BAS 01122786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.