ChemDiv1_004510
TL;DR: ChemDiv1_004510 (CAS 312945-51-0) is a chemical compound with molecular formula C24H24N2O4S2 and molecular weight 468.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-2-yl)butyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one
Also Known As: ChemDiv1_004510, AE-848/12123156, 2-[4-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-2-yl)butyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one, 2-[4-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1]BENZOTHIENO[2,3-D][1,3]OXAZIN-2-YL)BUTYL]-5,6,7,8-TETRAHYDRO-4H-[1]BENZOTHIENO[2,3-D][1,3]OXAZIN-4-ONE, 2,2'-butane-1,4-diylbis(5,6,7,8-tetrahydro-4H-[1]benzothieno[2,3-d][1,3]oxazin-4-one)
| Molecular Formula | C24H24N2O4S2 |
|---|---|
| Molecular Weight | 468.12 g/mol |
| LogP | 5.1354 |
| Topological Polar Surface Area | 86.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.11774 |
| Heavy Atoms | 32 |
| Complexity | 1332.4833 |
Chemical Identifiers
| CAS Number | 312945-51-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(OC3=O)CCCCC4=NC5=C(C6=C(S5)CCCC6)C(=O)O4 |
Product Overview
ChemDiv1_004510 (CAS 312945-51-0), with molecular formula C24H24N2O4S2 and molecular weight 468.12 g/mol. IUPAC: 2-[4-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-2-yl)butyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one.
Chemical Property Profile of ChemDiv1_004510
Property Insights of ChemDiv1_004510
The XLogP value of 5.1354 indicates that ChemDiv1_004510 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004510. Following Lipinski's Rule of Five, ChemDiv1_004510 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004510?
The CAS number of ChemDiv1_004510 is 312945-51-0.
What is the molecular formula of ChemDiv1_004510?
The molecular formula of ChemDiv1_004510 is C24H24N2O4S2.
What is the molecular weight of ChemDiv1_004510?
The molecular weight of ChemDiv1_004510 is 468.12 g/mol.
Where can I buy ChemDiv1_004510?
You can request a quote for ChemDiv1_004510 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004510?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004510 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.