BAS 05462986
TL;DR: BAS 05462986 (CAS 684235-10-7) is a chemical compound with molecular formula C20H21N3O5S and molecular weight 415.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]sulfonylamino]acetate
Also Known As: BAS 05462986, ethyl 2-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]sulfonylamino]acetate, 2-[[2-methyl-5-(3-methyl-4-oxo-1-phthalazinyl)phenyl]sulfonylamino]acetic acid ethyl ester, ethyl 2-(2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenylsulfonamido)acetate, ethyl N-{[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]sulfonyl}glycinate
| Molecular Formula | C20H21N3O5S |
|---|---|
| Molecular Weight | 415.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.12018 |
| Heavy Atoms | 29 |
| Complexity | 761.0 |
Chemical Identifiers
| CAS Number | 684235-10-7 |
|---|---|
| SMILES | CCOC(=O)CNS(=O)(=O)C1=C(C=CC(=C1)C2=NN(C(=O)C3=CC=CC=C32)C)C |
| InChIKey | SCNANPLSNGDYJM-UHFFFAOYSA-N |
Product Overview
BAS 05462986 (CAS 684235-10-7), with molecular formula C20H21N3O5S and molecular weight 415.12 g/mol. IUPAC: ethyl 2-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]sulfonylamino]acetate.
Chemical Property Profile of BAS 05462986
Property Insights of BAS 05462986
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05462986. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05462986. Following Lipinski's Rule of Five, BAS 05462986 has 1 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 05462986?
The CAS number of BAS 05462986 is 684235-10-7.
What is the molecular formula of BAS 05462986?
The molecular formula of BAS 05462986 is C20H21N3O5S.
What is the molecular weight of BAS 05462986?
The molecular weight of BAS 05462986 is 415.12 g/mol.
Where can I buy BAS 05462986?
You can request a quote for BAS 05462986 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05462986?
Yes, KEHONG BIO provides custom synthesis services for BAS 05462986 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.