IFLab1_003003
TL;DR: IFLab1_003003 (CAS 851716-82-0) is a chemical compound with molecular formula C19H25N3O3S2 and molecular weight 407.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexyl-2-[2-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetamide
Also Known As: IFLab1_003003, IDI1_009462, F0620-0713, (Z)-N-cyclohexyl-2-((2-((6-methoxy-3-methylbenzo[d]thiazol-2(3H)-ylidene)amino)-2-oxoethyl)thio)acetamide, 2-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-N-[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide
| Molecular Formula | C19H25N3O3S2 |
|---|---|
| Molecular Weight | 407.13 g/mol |
| LogP | 2.8578 |
| Topological Polar Surface Area | 72.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.13373 |
| Heavy Atoms | 27 |
| Complexity | 881.9425 |
Chemical Identifiers
| CAS Number | 851716-82-0 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)OC)SC1=NC(=O)CSCC(=O)NC3CCCCC3 |
Product Overview
IFLab1_003003 (CAS 851716-82-0), with molecular formula C19H25N3O3S2 and molecular weight 407.13 g/mol. IUPAC: N-cyclohexyl-2-[2-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetamide.
Chemical Property Profile of IFLab1_003003
Property Insights of IFLab1_003003
The XLogP value of 2.8578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_003003. The TPSA of 72.69 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003003. Following Lipinski's Rule of Five, IFLab1_003003 has 1 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 IFLab1_003003?
The CAS number of IFLab1_003003 is 851716-82-0.
What is the molecular formula of IFLab1_003003?
The molecular formula of IFLab1_003003 is C19H25N3O3S2.
What is the molecular weight of IFLab1_003003?
The molecular weight of IFLab1_003003 is 407.13 g/mol.
Where can I buy IFLab1_003003?
You can request a quote for IFLab1_003003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003003?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.