BAS 02729533
TL;DR: BAS 02729533 (CAS 404914-97-2) is a chemical compound with molecular formula C19H21N7OS2 and molecular weight 427.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Also Known As: BAS 02729533, N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide, N-(5-ISOPROPYL-1,3,4-THIADIAZOL-2-YL)-2-({5-PROPYL-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)ACETAMIDE, N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide, N~1~-(5-ISOPROPYL-1,3,4-THIADIAZOL-2-YL)-2-[(5-PROPYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL)SULFANYL]ACETAMIDE
| Molecular Formula | C19H21N7OS2 |
|---|---|
| Molecular Weight | 427.12 g/mol |
| LogP | 4.0952 |
| Topological Polar Surface Area | 98.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.1249 |
| Heavy Atoms | 29 |
| Complexity | 1168.0073 |
Chemical Identifiers
| CAS Number | 404914-97-2 |
|---|---|
| SMILES | CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=NN=C(S4)C(C)C |
Product Overview
BAS 02729533 (CAS 404914-97-2), with molecular formula C19H21N7OS2 and molecular weight 427.12 g/mol. IUPAC: N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 02729533
Property Insights of BAS 02729533
The XLogP value of 4.0952 indicates that BAS 02729533 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 02729533. Following Lipinski's Rule of Five, BAS 02729533 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 02729533?
The CAS number of BAS 02729533 is 404914-97-2.
What is the molecular formula of BAS 02729533?
The molecular formula of BAS 02729533 is C19H21N7OS2.
What is the molecular weight of BAS 02729533?
The molecular weight of BAS 02729533 is 427.12 g/mol.
Where can I buy BAS 02729533?
You can request a quote for BAS 02729533 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02729533?
Yes, KEHONG BIO provides custom synthesis services for BAS 02729533 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.