ChemDiv3_008919
TL;DR: ChemDiv3_008919 (CAS 1164516-42-0) is a chemical compound with molecular formula C19H24N4O4S2 and molecular weight 436.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[2-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetyl]piperazine-1-carboxylate
Also Known As: ChemDiv3_008919, IDI1_026829, BRD-K58905453-001-01-6, ethyl 4-[2-[2-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetyl]piperazine-1-carboxylate, ethyl 4-{2-[({[(2Z)-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate
| Molecular Formula | C19H24N4O4S2 |
|---|---|
| Molecular Weight | 436.12 g/mol |
| LogP | 1.701 |
| Topological Polar Surface Area | 84.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.1239 |
| Heavy Atoms | 29 |
| Complexity | 960.515 |
Chemical Identifiers
| CAS Number | 1164516-42-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)N=C2N(C3=CC=CC=C3S2)C |
Product Overview
ChemDiv3_008919 (CAS 1164516-42-0), with molecular formula C19H24N4O4S2 and molecular weight 436.12 g/mol. IUPAC: ethyl 4-[2-[2-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetyl]piperazine-1-carboxylate.
Chemical Property Profile of ChemDiv3_008919
Property Insights of ChemDiv3_008919
The XLogP value of 1.701 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_008919. The TPSA of 84.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_008919. Following Lipinski's Rule of Five, ChemDiv3_008919 has 0 hydrogen bond donor(s) and 6 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 ChemDiv3_008919?
The CAS number of ChemDiv3_008919 is 1164516-42-0.
What is the molecular formula of ChemDiv3_008919?
The molecular formula of ChemDiv3_008919 is C19H24N4O4S2.
What is the molecular weight of ChemDiv3_008919?
The molecular weight of ChemDiv3_008919 is 436.12 g/mol.
Where can I buy ChemDiv3_008919?
You can request a quote for ChemDiv3_008919 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_008919?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_008919 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.