BAS 01313702
TL;DR: BAS 01313702 (CAS 337489-54-0) is a chemical compound with molecular formula C23H17N5O4S and molecular weight 459.10 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-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
Also Known As: BAS 01313702, (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl {[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetate, (1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)METHYL 2-{[5-(PROP-2-EN-1-YL)-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL]SULFANYL}ACETATE, (1,3-dioxoisoindol-2-yl)methyl 2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate, (1,3-DIOXOISOINDOL-2-YL)METHYL 2-{[5-(PROP-2-EN-1-YL)-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL]SULFANYL}ACETATE
| Molecular Formula | C23H17N5O4S |
|---|---|
| Molecular Weight | 459.10 g/mol |
| LogP | 3.0545 |
| Topological Polar Surface Area | 107.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.10013 |
| Heavy Atoms | 33 |
| Complexity | 1412.5973 |
Chemical Identifiers
| CAS Number | 337489-54-0 |
|---|---|
| SMILES | C=CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)OCN4C(=O)C5=CC=CC=C5C4=O |
Product Overview
BAS 01313702 (CAS 337489-54-0), with molecular formula C23H17N5O4S and molecular weight 459.10 g/mol. IUPAC: (1,3-dioxoisoindol-2-yl)methyl 2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate.
Chemical Property Profile of BAS 01313702
Property Insights of BAS 01313702
The XLogP value of 3.0545 indicates that BAS 01313702 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.28 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01313702. Following Lipinski's Rule of Five, BAS 01313702 has 0 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 01313702?
The CAS number of BAS 01313702 is 337489-54-0.
What is the molecular formula of BAS 01313702?
The molecular formula of BAS 01313702 is C23H17N5O4S.
What is the molecular weight of BAS 01313702?
The molecular weight of BAS 01313702 is 459.10 g/mol.
Where can I buy BAS 01313702?
You can request a quote for BAS 01313702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01313702?
Yes, KEHONG BIO provides custom synthesis services for BAS 01313702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.