BAS 01108296
TL;DR: BAS 01108296 (CAS 336181-04-5) is a chemical compound with molecular formula C20H19BrN2O5 and molecular weight 446.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2'-amino-5-bromo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate
Also Known As: BAS 01108296, methyl 2'-amino-5-bromo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate, methyl 2-amino-15-bromo-7,7-dimethyl-5,12-dioxospiro[4H-6,7,8-trihydrochromene -4,3'-indoline]-3-carboxylate, methyl 2-amino-5'-bromo-7,7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carboxylate, methyl 2-amino-5'-bromo-7,7-dimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate
| Molecular Formula | C20H19BrN2O5 |
|---|---|
| Molecular Weight | 446.05 g/mol |
| LogP | 2.6557 |
| Topological Polar Surface Area | 107.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 446.04773 |
| Heavy Atoms | 28 |
| Complexity | 1023.4224 |
Chemical Identifiers
| CAS Number | 336181-04-5 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C3(C4=C(C=CC(=C4)Br)NC3=O)C(=C(O2)N)C(=O)OC)C |
Product Overview
BAS 01108296 (CAS 336181-04-5), with molecular formula C20H19BrN2O5 and molecular weight 446.05 g/mol. IUPAC: methyl 2'-amino-5-bromo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate.
Chemical Property Profile of BAS 01108296
Property Insights of BAS 01108296
The XLogP value of 2.6557 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01108296. The TPSA of 107.72 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01108296. Following Lipinski's Rule of Five, BAS 01108296 has 2 hydrogen bond donor(s) and 6 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 01108296?
The CAS number of BAS 01108296 is 336181-04-5.
What is the molecular formula of BAS 01108296?
The molecular formula of BAS 01108296 is C20H19BrN2O5.
What is the molecular weight of BAS 01108296?
The molecular weight of BAS 01108296 is 446.05 g/mol.
Where can I buy BAS 01108296?
You can request a quote for BAS 01108296 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01108296?
Yes, KEHONG BIO provides custom synthesis services for BAS 01108296 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.