BAS 01108231
TL;DR: BAS 01108231 (CAS 327100-82-3) is a chemical compound with molecular formula C19H19BrN2O6 and molecular weight 450.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
Also Known As: BAS 01108231, diethyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate, diethyl 2'-amino-5-bromo-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate, diethyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate, diethyl 2-amino-5'-bromo-1',3'-dihydro-6-methyl-2'-oxospiro[4H-pyran-4,3'-(2'H)-indole]-3,5-dicarboxylate
| Molecular Formula | C19H19BrN2O6 |
|---|---|
| Molecular Weight | 450.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.04266 |
| Heavy Atoms | 28 |
| Complexity | 776.0 |
Chemical Identifiers
| CAS Number | 327100-82-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C12C3=C(C=CC(=C3)Br)NC2=O)C(=O)OCC)N)C |
| InChIKey | SPKWURVTNBQCAB-UHFFFAOYSA-N |
Product Overview
BAS 01108231 (CAS 327100-82-3), with molecular formula C19H19BrN2O6 and molecular weight 450.04 g/mol. IUPAC: diethyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate.
Chemical Property Profile of BAS 01108231
Property Insights of BAS 01108231
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01108231. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01108231. Following Lipinski's Rule of Five, BAS 01108231 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 01108231?
The CAS number of BAS 01108231 is 327100-82-3.
What is the molecular formula of BAS 01108231?
The molecular formula of BAS 01108231 is C19H19BrN2O6.
What is the molecular weight of BAS 01108231?
The molecular weight of BAS 01108231 is 450.04 g/mol.
Where can I buy BAS 01108231?
You can request a quote for BAS 01108231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01108231?
Yes, KEHONG BIO provides custom synthesis services for BAS 01108231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.