AB00434754-05
TL;DR: AB00434754-05 (CAS 847400-05-9) is a chemical compound with molecular formula C14H14N4OS2 and molecular weight 318.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one
Also Known As: AB00434754-05, F0665-0009, 3-{[4-methyl-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one, 3-((5-(allylthio)-4-methyl-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one, 3-[(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one
| Molecular Formula | C14H14N4OS2 |
|---|---|
| Molecular Weight | 318.06 g/mol |
| LogP | 2.5179 |
| Topological Polar Surface Area | 52.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.0609 |
| Heavy Atoms | 21 |
| Complexity | 846.1465 |
Chemical Identifiers
| CAS Number | 847400-05-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC=C)CN2C3=CC=CC=C3SC2=O |
Product Overview
AB00434754-05 (CAS 847400-05-9), with molecular formula C14H14N4OS2 and molecular weight 318.06 g/mol. IUPAC: 3-[(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one.
Chemical Property Profile of AB00434754-05
Property Insights of AB00434754-05
The XLogP value of 2.5179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00434754-05. With a topological polar surface area (TPSA) of 52.71 Ų, AB00434754-05 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00434754-05 has 0 hydrogen bond donor(s) and 5 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 AB00434754-05?
The CAS number of AB00434754-05 is 847400-05-9.
What is the molecular formula of AB00434754-05?
The molecular formula of AB00434754-05 is C14H14N4OS2.
What is the molecular weight of AB00434754-05?
The molecular weight of AB00434754-05 is 318.06 g/mol.
Where can I buy AB00434754-05?
You can request a quote for AB00434754-05 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00434754-05?
Yes, KEHONG BIO provides custom synthesis services for AB00434754-05 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.