ChemDiv2_006014
TL;DR: ChemDiv2_006014 (CAS 1164501-61-4) is a chemical compound with molecular formula C21H29N3O4S2 and molecular weight 451.16 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-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanylacetamide
Also Known As: ChemDiv2_006014, IDI1_004729, (Z)-N-cyclohexyl-2-((2-((6-methoxy-3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-ylidene)amino)-2-oxoethyl)thio)acetamide, 2-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-N-[(2Z)-6-methoxy-3-(2-methoxyethyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide, N-cyclohexyl-2-[2-[[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanylacetamide
| Molecular Formula | C21H29N3O4S2 |
|---|---|
| Molecular Weight | 451.16 g/mol |
| LogP | 2.9672 |
| Topological Polar Surface Area | 81.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 451.15994 |
| Heavy Atoms | 30 |
| Complexity | 931.96466 |
Chemical Identifiers
| CAS Number | 1164501-61-4 |
|---|---|
| SMILES | COCCN1C2=C(C=C(C=C2)OC)SC1=NC(=O)CSCC(=O)NC3CCCCC3 |
Product Overview
ChemDiv2_006014 (CAS 1164501-61-4), with molecular formula C21H29N3O4S2 and molecular weight 451.16 g/mol. IUPAC: N-cyclohexyl-2-[2-[[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanylacetamide.
Chemical Property Profile of ChemDiv2_006014
Property Insights of ChemDiv2_006014
The XLogP value of 2.9672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006014. The TPSA of 81.92 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006014. Following Lipinski's Rule of Five, ChemDiv2_006014 has 1 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 ChemDiv2_006014?
The CAS number of ChemDiv2_006014 is 1164501-61-4.
What is the molecular formula of ChemDiv2_006014?
The molecular formula of ChemDiv2_006014 is C21H29N3O4S2.
What is the molecular weight of ChemDiv2_006014?
The molecular weight of ChemDiv2_006014 is 451.16 g/mol.
Where can I buy ChemDiv2_006014?
You can request a quote for ChemDiv2_006014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006014?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.