ChemDiv3_004610
TL;DR: ChemDiv3_004610 (CAS 692279-96-2) is a chemical compound with molecular formula C19H19NO5S2 and molecular weight 405.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-3,8,8-trimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
Also Known As: ChemDiv3_004610, IDI1_022520, 3-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]-3,8,8-trimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione, AL-281/41584929, BRD-A78663163-001-01-0
| Molecular Formula | C19H19NO5S2 |
|---|---|
| Molecular Weight | 405.07 g/mol |
| LogP | 3.375 |
| Topological Polar Surface Area | 82.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.07047 |
| Heavy Atoms | 27 |
| Complexity | 934.91565 |
Chemical Identifiers
| CAS Number | 692279-96-2 |
|---|---|
| SMILES | CC1(CC2(CC(OC2=O)(C)C(=O)CSC3=NC4=CC=CC=C4S3)C(=O)O1)C |
Product Overview
ChemDiv3_004610 (CAS 692279-96-2), with molecular formula C19H19NO5S2 and molecular weight 405.07 g/mol. IUPAC: 3-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-3,8,8-trimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione.
Chemical Property Profile of ChemDiv3_004610
Property Insights of ChemDiv3_004610
The XLogP value of 3.375 indicates that ChemDiv3_004610 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.56 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004610. Following Lipinski's Rule of Five, ChemDiv3_004610 has 0 hydrogen bond donor(s) and 8 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_004610?
The CAS number of ChemDiv3_004610 is 692279-96-2.
What is the molecular formula of ChemDiv3_004610?
The molecular formula of ChemDiv3_004610 is C19H19NO5S2.
What is the molecular weight of ChemDiv3_004610?
The molecular weight of ChemDiv3_004610 is 405.07 g/mol.
Where can I buy ChemDiv3_004610?
You can request a quote for ChemDiv3_004610 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004610?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004610 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.