ChemDiv3_004088
TL;DR: ChemDiv3_004088 (CAS 375841-57-9) is a chemical compound with molecular formula C22H25N5O2S and molecular weight 423.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(12-ethyl-11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-16-yl)sulfanylacetamide
Also Known As: ChemDiv3_004088, IDI1_021998, BAS 04056650, AB01312751-01, BRD-K65730273-001-01-7
| Molecular Formula | C22H25N5O2S |
|---|---|
| Molecular Weight | 423.17 g/mol |
| LogP | 2.9133 |
| Topological Polar Surface Area | 95.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.17288 |
| Heavy Atoms | 30 |
| Complexity | 1206.1936 |
Chemical Identifiers
| CAS Number | 375841-57-9 |
|---|---|
| SMILES | CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N5C1=NN=C5SCC(=O)N |
Product Overview
ChemDiv3_004088 (CAS 375841-57-9), with molecular formula C22H25N5O2S and molecular weight 423.17 g/mol. IUPAC: 2-(12-ethyl-11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-16-yl)sulfanylacetamide.
Chemical Property Profile of ChemDiv3_004088
Property Insights of ChemDiv3_004088
The XLogP value of 2.9133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004088. The TPSA of 95.28 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004088. Following Lipinski's Rule of Five, ChemDiv3_004088 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 ChemDiv3_004088?
The CAS number of ChemDiv3_004088 is 375841-57-9.
What is the molecular formula of ChemDiv3_004088?
The molecular formula of ChemDiv3_004088 is C22H25N5O2S.
What is the molecular weight of ChemDiv3_004088?
The molecular weight of ChemDiv3_004088 is 423.17 g/mol.
Where can I buy ChemDiv3_004088?
You can request a quote for ChemDiv3_004088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004088?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.