BAS 01313654
TL;DR: BAS 01313654 (CAS 330555-33-4) is a chemical compound with molecular formula C17H17N7OS2 and molecular weight 399.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: BAS 01313654, 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide, 2-({5-METHYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)-N-[5-(PROPAN-2-YL)-1,3,4-THIADIAZOL-2-YL]ACETAMIDE, 2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide, N-(5-ISOPROPYL-1,3,4-THIADIAZOL-2-YL)-2-({5-METHYL-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)ACETAMIDE
| Molecular Formula | C17H17N7OS2 |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | 3.2222 |
| Topological Polar Surface Area | 98.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.0936 |
| Heavy Atoms | 27 |
| Complexity | 1134.9298 |
Chemical Identifiers
| CAS Number | 330555-33-4 |
|---|---|
| SMILES | CC(C)C1=NN=C(S1)NC(=O)CSC2=NC3=C(C4=CC=CC=C4N3C)N=N2 |
Product Overview
BAS 01313654 (CAS 330555-33-4), with molecular formula C17H17N7OS2 and molecular weight 399.09 g/mol. IUPAC: 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of BAS 01313654
Property Insights of BAS 01313654
The XLogP value of 3.2222 indicates that BAS 01313654 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01313654. Following Lipinski's Rule of Five, BAS 01313654 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 01313654?
The CAS number of BAS 01313654 is 330555-33-4.
What is the molecular formula of BAS 01313654?
The molecular formula of BAS 01313654 is C17H17N7OS2.
What is the molecular weight of BAS 01313654?
The molecular weight of BAS 01313654 is 399.09 g/mol.
Where can I buy BAS 01313654?
You can request a quote for BAS 01313654 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01313654?
Yes, KEHONG BIO provides custom synthesis services for BAS 01313654 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.