AB00672346-01
TL;DR: AB00672346-01 (CAS 301308-83-8) is a chemical compound with molecular formula C19H18N4O3S2 and molecular weight 414.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-dimethyl-5-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]-1H-pyrrole-3-carboxylate
Also Known As: AB00672346-01, ethyl 2,4-dimethyl-5-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetyl)-1H-pyrrole-3-carboxylate, F0745-0454, ethyl 2,4-dimethyl-5-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]-1H-pyrrole-3-carboxylate, ETHYL 2,4-DIMETHYL-5-[([1,2,4]TRIAZOLO[3,4-B][1,3]BENZOTHIAZOL-3-YLSULFANYL)ACETYL]-1H-PYRROLE-3-CARBOXYLATE
| Molecular Formula | C19H18N4O3S2 |
|---|---|
| Molecular Weight | 414.08 g/mol |
| LogP | 4.04064 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.08203 |
| Heavy Atoms | 28 |
| Complexity | 1204.9027 |
Chemical Identifiers
| CAS Number | 301308-83-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NN=C3N2C4=CC=CC=C4S3)C |
Product Overview
AB00672346-01 (CAS 301308-83-8), with molecular formula C19H18N4O3S2 and molecular weight 414.08 g/mol. IUPAC: ethyl 2,4-dimethyl-5-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]-1H-pyrrole-3-carboxylate.
Chemical Property Profile of AB00672346-01
Property Insights of AB00672346-01
The XLogP value of 4.04064 indicates that AB00672346-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672346-01. Following Lipinski's Rule of Five, AB00672346-01 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 AB00672346-01?
The CAS number of AB00672346-01 is 301308-83-8.
What is the molecular formula of AB00672346-01?
The molecular formula of AB00672346-01 is C19H18N4O3S2.
What is the molecular weight of AB00672346-01?
The molecular weight of AB00672346-01 is 414.08 g/mol.
Where can I buy AB00672346-01?
You can request a quote for AB00672346-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672346-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672346-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.