RefChem:308991
TL;DR: RefChem:308991 (CAS 577998-54-0) is a chemical compound with molecular formula C21H21N5O2S and molecular weight 407.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-3-(2-methyl-5-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
Also Known As: ChemDiv3_006865, BAS 07457012, IDI1_024775, 6-Methyl-3-[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazolo[3,4-a]phthalazine, BRD-K84710925-001-01-8
| Molecular Formula | C21H21N5O2S |
|---|---|
| Molecular Weight | 407.14 g/mol |
| LogP | 3.34584 |
| Topological Polar Surface Area | 80.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.1416 |
| Heavy Atoms | 29 |
| Complexity | 1354.5222 |
Chemical Identifiers
| CAS Number | 577998-54-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C3=NN=C4N3N=C(C5=CC=CC=C54)C |
Product Overview
RefChem:308991 (CAS 577998-54-0), with molecular formula C21H21N5O2S and molecular weight 407.14 g/mol. IUPAC: 6-methyl-3-(2-methyl-5-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine.
Chemical Property Profile of RefChem:308991
Property Insights of RefChem:308991
The XLogP value of 3.34584 indicates that RefChem:308991 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.46 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:308991. Following Lipinski's Rule of Five, RefChem:308991 has 0 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 RefChem:308991?
The CAS number of RefChem:308991 is 577998-54-0.
What is the molecular formula of RefChem:308991?
The molecular formula of RefChem:308991 is C21H21N5O2S.
What is the molecular weight of RefChem:308991?
The molecular weight of RefChem:308991 is 407.14 g/mol.
Where can I buy RefChem:308991?
You can request a quote for RefChem:308991 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:308991?
Yes, KEHONG BIO provides custom synthesis services for RefChem:308991 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.