BAS 07457066
TL;DR: BAS 07457066 (CAS 577698-41-0) is a chemical compound with molecular formula C21H21N5O3S and molecular weight 423.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
Also Known As: BAS 07457066, A3598/0152434, 3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine, 3-[4-methoxy-3-(pyrrolidin-1-ylsulfonyl)phenyl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine, 1-(2-METHOXY-5-{6-METHYL-[1,2,4]TRIAZOLO[3,4-A]PHTHALAZIN-3-YL}BENZENESULFONYL)PYRROLIDINE
| Molecular Formula | C21H21N5O3S |
|---|---|
| Molecular Weight | 423.14 g/mol |
| LogP | 3.04602 |
| Topological Polar Surface Area | 89.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.1365 |
| Heavy Atoms | 30 |
| Complexity | 1374.4373 |
Chemical Identifiers
| CAS Number | 577698-41-0 |
|---|---|
| SMILES | CC1=NN2C(=NN=C2C3=CC=CC=C13)C4=CC(=C(C=C4)OC)S(=O)(=O)N5CCCC5 |
Product Overview
BAS 07457066 (CAS 577698-41-0), with molecular formula C21H21N5O3S and molecular weight 423.14 g/mol. IUPAC: 3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine.
Chemical Property Profile of BAS 07457066
Property Insights of BAS 07457066
The XLogP value of 3.04602 indicates that BAS 07457066 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.69 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07457066. Following Lipinski's Rule of Five, BAS 07457066 has 0 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 07457066?
The CAS number of BAS 07457066 is 577698-41-0.
What is the molecular formula of BAS 07457066?
The molecular formula of BAS 07457066 is C21H21N5O3S.
What is the molecular weight of BAS 07457066?
The molecular weight of BAS 07457066 is 423.14 g/mol.
Where can I buy BAS 07457066?
You can request a quote for BAS 07457066 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07457066?
Yes, KEHONG BIO provides custom synthesis services for BAS 07457066 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.