BAS 02729575
TL;DR: BAS 02729575 (CAS 333415-55-7) is a chemical compound with molecular formula C21H18N6OS2 and molecular weight 434.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Also Known As: BAS 02729575, N-(1,3-benzothiazol-2-yl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide, N-(1,3-benzothiazol-2-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide, N-(1,3-BENZOTHIAZOL-2-YL)-2-({5-METHYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)BUTANAMIDE
| Molecular Formula | C21H18N6OS2 |
|---|---|
| Molecular Weight | 434.10 g/mol |
| LogP | 4.6356 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.09836 |
| Heavy Atoms | 30 |
| Complexity | 1359.5884 |
Chemical Identifiers
| CAS Number | 333415-55-7 |
|---|---|
| SMILES | CCC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=NC4=C(C5=CC=CC=C5N4C)N=N3 |
Product Overview
BAS 02729575 (CAS 333415-55-7), with molecular formula C21H18N6OS2 and molecular weight 434.10 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide.
Chemical Property Profile of BAS 02729575
Property Insights of BAS 02729575
The XLogP value of 4.6356 indicates that BAS 02729575 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02729575. Following Lipinski's Rule of Five, BAS 02729575 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 02729575?
The CAS number of BAS 02729575 is 333415-55-7.
What is the molecular formula of BAS 02729575?
The molecular formula of BAS 02729575 is C21H18N6OS2.
What is the molecular weight of BAS 02729575?
The molecular weight of BAS 02729575 is 434.10 g/mol.
Where can I buy BAS 02729575?
You can request a quote for BAS 02729575 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02729575?
Yes, KEHONG BIO provides custom synthesis services for BAS 02729575 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.