BAS 01313627
TL;DR: BAS 01313627 (CAS 340691-75-0) is a chemical compound with molecular formula C20H13N5O4S and molecular weight 419.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxoisoindol-2-yl)methyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate
Also Known As: BAS 01313627, BIM-0037143.P001, (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl (5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate, (1,3-dioxoisoindol-2-yl)methyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate, (1,3-dioxoisoindolin-2-yl)methyl 2-((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetate
| Molecular Formula | C20H13N5O4S |
|---|---|
| Molecular Weight | 419.07 g/mol |
| LogP | 2.3951 |
| Topological Polar Surface Area | 118.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.06882 |
| Heavy Atoms | 30 |
| Complexity | 1300.2886 |
Chemical Identifiers
| CAS Number | 340691-75-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3 |
Product Overview
BAS 01313627 (CAS 340691-75-0), with molecular formula C20H13N5O4S and molecular weight 419.07 g/mol. IUPAC: (1,3-dioxoisoindol-2-yl)methyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate.
Chemical Property Profile of BAS 01313627
Property Insights of BAS 01313627
The XLogP value of 2.3951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01313627. The TPSA of 118.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01313627. Following Lipinski's Rule of Five, BAS 01313627 has 1 hydrogen bond donor(s) and 8 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 01313627?
The CAS number of BAS 01313627 is 340691-75-0.
What is the molecular formula of BAS 01313627?
The molecular formula of BAS 01313627 is C20H13N5O4S.
What is the molecular weight of BAS 01313627?
The molecular weight of BAS 01313627 is 419.07 g/mol.
Where can I buy BAS 01313627?
You can request a quote for BAS 01313627 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01313627?
Yes, KEHONG BIO provides custom synthesis services for BAS 01313627 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.