BAS 01313703
TL;DR: BAS 01313703 (CAS 296772-64-0) is a chemical compound with molecular formula C24H26N6O4S and molecular weight 494.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-oxo-6-[2-oxo-5-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]-1,3-dihydroimidazol-4-yl]hexanoate
Also Known As: BAS 01313703, A1458/0064278, 6-[5-(9-Allyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanylmethyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl]-6-oxo-hexanoic acid ethyl ester, ethyl 6-oxo-6-[2-oxo-5-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-2,3-dihydro-1H-imidazol-4-yl]hexanoate, ethyl 6-oxo-6-[2-oxo-5-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]-1,3-dihydroimidazol-4-yl]hexanoate
| Molecular Formula | C24H26N6O4S |
|---|---|
| Molecular Weight | 494.17 g/mol |
| LogP | 3.7804 |
| Topological Polar Surface Area | 135.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 494.1736 |
| Heavy Atoms | 35 |
| Complexity | 1437.083 |
Chemical Identifiers
| CAS Number | 296772-64-0 |
|---|---|
| SMILES | CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC3=C(C4=CC=CC=C4N3CC=C)N=N2 |
Product Overview
BAS 01313703 (CAS 296772-64-0), with molecular formula C24H26N6O4S and molecular weight 494.17 g/mol. IUPAC: ethyl 6-oxo-6-[2-oxo-5-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]-1,3-dihydroimidazol-4-yl]hexanoate.
Chemical Property Profile of BAS 01313703
Property Insights of BAS 01313703
The XLogP value of 3.7804 indicates that BAS 01313703 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.62 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01313703. Following Lipinski's Rule of Five, BAS 01313703 has 2 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 01313703?
The CAS number of BAS 01313703 is 296772-64-0.
What is the molecular formula of BAS 01313703?
The molecular formula of BAS 01313703 is C24H26N6O4S.
What is the molecular weight of BAS 01313703?
The molecular weight of BAS 01313703 is 494.17 g/mol.
Where can I buy BAS 01313703?
You can request a quote for BAS 01313703 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01313703?
Yes, KEHONG BIO provides custom synthesis services for BAS 01313703 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.