ChemDiv3_009137
TL;DR: ChemDiv3_009137 (CAS 851716-75-1) is a chemical compound with molecular formula C21H27N3O4S2 and molecular weight 449.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylacetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate
Also Known As: ChemDiv3_009137, IDI1_027047, F0620-0323, BRD-K39966036-001-01-8, (Z)-methyl 2-((2-((2-(cyclohexylamino)-2-oxoethyl)thio)acetyl)imino)-3-ethyl-2,3-dihydrobenzo[d]thiazole-6-carboxylate
| Molecular Formula | C21H27N3O4S2 |
|---|---|
| Molecular Weight | 449.14 g/mol |
| LogP | 3.1187 |
| Topological Polar Surface Area | 89.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.1443 |
| Heavy Atoms | 30 |
| Complexity | 989.7882 |
Chemical Identifiers
| CAS Number | 851716-75-1 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CSCC(=O)NC3CCCCC3 |
Product Overview
ChemDiv3_009137 (CAS 851716-75-1), with molecular formula C21H27N3O4S2 and molecular weight 449.14 g/mol. IUPAC: methyl 2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylacetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of ChemDiv3_009137
Property Insights of ChemDiv3_009137
The XLogP value of 3.1187 indicates that ChemDiv3_009137 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.76 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_009137. Following Lipinski's Rule of Five, ChemDiv3_009137 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 ChemDiv3_009137?
The CAS number of ChemDiv3_009137 is 851716-75-1.
What is the molecular formula of ChemDiv3_009137?
The molecular formula of ChemDiv3_009137 is C21H27N3O4S2.
What is the molecular weight of ChemDiv3_009137?
The molecular weight of ChemDiv3_009137 is 449.14 g/mol.
Where can I buy ChemDiv3_009137?
You can request a quote for ChemDiv3_009137 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_009137?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_009137 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.