BAS 01108054
TL;DR: BAS 01108054 (CAS 302818-13-9) is a chemical compound with molecular formula C19H21N5O and molecular weight 335.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-1'-benzyl-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile
Also Known As: BAS 01108054, AB00095281-01, 6'-amino-1-benzyl-3'-methyl-2'H-spiro[piperidine-4,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile, 6-amino-1'-benzyl-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile, 6-amino-1'-benzyl-5-cyano-1,4-dihydro-3-methyl-spiro[pyrano[2,3-c]pyrazole-4,4'-piperidine]
| Molecular Formula | C19H21N5O |
|---|---|
| Molecular Weight | 335.17 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 91.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.17462 |
| Heavy Atoms | 25 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 302818-13-9 |
|---|---|
| SMILES | CC1=C2C(=NN1)OC(=C(C23CCN(CC3)CC4=CC=CC=C4)C#N)N |
| InChIKey | YIJIDZQZAFLHKO-UHFFFAOYSA-N |
Product Overview
BAS 01108054 (CAS 302818-13-9), with molecular formula C19H21N5O and molecular weight 335.17 g/mol. IUPAC: 6-amino-1'-benzyl-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile.
Chemical Property Profile of BAS 01108054
Property Insights of BAS 01108054
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01108054. The TPSA of 91.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01108054. Following Lipinski's Rule of Five, BAS 01108054 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 01108054?
The CAS number of BAS 01108054 is 302818-13-9.
What is the molecular formula of BAS 01108054?
The molecular formula of BAS 01108054 is C19H21N5O.
What is the molecular weight of BAS 01108054?
The molecular weight of BAS 01108054 is 335.17 g/mol.
Where can I buy BAS 01108054?
You can request a quote for BAS 01108054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01108054?
Yes, KEHONG BIO provides custom synthesis services for BAS 01108054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.