BAS 06702169
TL;DR: BAS 06702169 (CAS 956949-77-2) is a chemical compound with molecular formula C18H19N5O2 and molecular weight 337.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[(1-methylindol-3-yl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one
Also Known As: BAS 06702169, AH-487/42145667, 4,4'-[(1-methyl-1H-indol-3-yl)methanediyl]bis(3-methyl-1H-pyrazol-5-ol), 5-methyl-4-[(1-methylindol-3-yl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one, 3H-Pyrazol-3-one, 4,4'-[(1-methyl-1H-indol-3-yl)methylene]bis[1,2-dihydro-5-methyl-
| Molecular Formula | C18H19N5O2 |
|---|---|
| Molecular Weight | 337.15 g/mol |
| LogP | 2.00814 |
| Topological Polar Surface Area | 102.23 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.15387 |
| Heavy Atoms | 25 |
| Complexity | 1129.9607 |
Chemical Identifiers
| CAS Number | 956949-77-2 |
|---|---|
| SMILES | CC1=C(C(=O)NN1)C(C2=CN(C3=CC=CC=C32)C)C4=C(NNC4=O)C |
Product Overview
BAS 06702169 (CAS 956949-77-2), with molecular formula C18H19N5O2 and molecular weight 337.15 g/mol. IUPAC: 5-methyl-4-[(1-methylindol-3-yl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one.
Chemical Property Profile of BAS 06702169
Property Insights of BAS 06702169
The XLogP value of 2.00814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06702169. The TPSA of 102.23 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06702169. Following Lipinski's Rule of Five, BAS 06702169 has 4 hydrogen bond donor(s) and 2 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 06702169?
The CAS number of BAS 06702169 is 956949-77-2.
What is the molecular formula of BAS 06702169?
The molecular formula of BAS 06702169 is C18H19N5O2.
What is the molecular weight of BAS 06702169?
The molecular weight of BAS 06702169 is 337.15 g/mol.
Where can I buy BAS 06702169?
You can request a quote for BAS 06702169 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06702169?
Yes, KEHONG BIO provides custom synthesis services for BAS 06702169 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.