BAS 01108158
TL;DR: BAS 01108158 (CAS 313381-52-1) is a chemical compound with molecular formula C19H16N4O5 and molecular weight 380.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-amino-7',7'-dimethyl-5-nitro-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile
Also Known As: BAS 01108158, J2.801.226H, A1171/0054456, 2-amino-7,7-dimethyl-5'-nitro-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile, 2'-amino-7',7'-dimethyl-5-nitro-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile
| Molecular Formula | C19H16N4O5 |
|---|---|
| Molecular Weight | 380.11 g/mol |
| LogP | 2.15198 |
| Topological Polar Surface Area | 148.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 380.11206 |
| Heavy Atoms | 28 |
| Complexity | 1092.0315 |
Chemical Identifiers
| CAS Number | 313381-52-1 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C3(C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)C(=C(O2)N)C#N)C |
Product Overview
BAS 01108158 (CAS 313381-52-1), with molecular formula C19H16N4O5 and molecular weight 380.11 g/mol. IUPAC: 2'-amino-7',7'-dimethyl-5-nitro-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile.
Chemical Property Profile of BAS 01108158
Property Insights of BAS 01108158
The XLogP value of 2.15198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01108158. The TPSA of 148.35 Ų indicates high polarity, suggesting BAS 01108158 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 01108158 has 2 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 01108158?
The CAS number of BAS 01108158 is 313381-52-1.
What is the molecular formula of BAS 01108158?
The molecular formula of BAS 01108158 is C19H16N4O5.
What is the molecular weight of BAS 01108158?
The molecular weight of BAS 01108158 is 380.11 g/mol.
Where can I buy BAS 01108158?
You can request a quote for BAS 01108158 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01108158?
Yes, KEHONG BIO provides custom synthesis services for BAS 01108158 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.