BAS 01108190
TL;DR: BAS 01108190 (CAS 336180-98-4) is a chemical compound with molecular formula C22H24N2O6 and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O'-tert-butyl 5-O'-prop-2-enyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
Also Known As: BAS 01108190, 5'-allyl 3'-tert-butyl 2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate, 3'-tert-butyl 5'-prop-2-en-1-yl 2'-amino-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate, 3-O'-tert-butyl 5-O'-prop-2-enyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate, tert-butyl 2-amino-6-methyl-8-oxo-5-(prop-2-enyloxycarbonyl)spiro[4H-pyran-4,3 '-indoline]-3-carboxylate
| Molecular Formula | C22H24N2O6 |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 2.4219 |
| Topological Polar Surface Area | 116.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.16342 |
| Heavy Atoms | 30 |
| Complexity | 1014.6993 |
Chemical Identifiers
| CAS Number | 336180-98-4 |
|---|---|
| SMILES | CC1=C(C2(C3=CC=CC=C3NC2=O)C(=C(O1)N)C(=O)OC(C)(C)C)C(=O)OCC=C |
Product Overview
BAS 01108190 (CAS 336180-98-4), with molecular formula C22H24N2O6 and molecular weight 412.16 g/mol. IUPAC: 3-O'-tert-butyl 5-O'-prop-2-enyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate.
Chemical Property Profile of BAS 01108190
Property Insights of BAS 01108190
The XLogP value of 2.4219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01108190. The TPSA of 116.95 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01108190. Following Lipinski's Rule of Five, BAS 01108190 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 01108190?
The CAS number of BAS 01108190 is 336180-98-4.
What is the molecular formula of BAS 01108190?
The molecular formula of BAS 01108190 is C22H24N2O6.
What is the molecular weight of BAS 01108190?
The molecular weight of BAS 01108190 is 412.16 g/mol.
Where can I buy BAS 01108190?
You can request a quote for BAS 01108190 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01108190?
Yes, KEHONG BIO provides custom synthesis services for BAS 01108190 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.