ChemDiv1_021234
TL;DR: ChemDiv1_021234 (CAS 314039-93-5) is a chemical compound with molecular formula C23H18N2O2S and molecular weight 386.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yloxy)-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
Also Known As: ChemDiv1_021234, BAS 01174022, BIM-0035913.P001, AB00099800-01, 2-(1,3-benzothiazol-2-yloxy)-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethanone
| Molecular Formula | C23H18N2O2S |
|---|---|
| Molecular Weight | 386.11 g/mol |
| LogP | 5.1386 |
| Topological Polar Surface Area | 42.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.1089 |
| Heavy Atoms | 28 |
| Complexity | 1087.4609 |
Chemical Identifiers
| CAS Number | 314039-93-5 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)COC4=NC5=CC=CC=C5S4 |
Product Overview
ChemDiv1_021234 (CAS 314039-93-5), with molecular formula C23H18N2O2S and molecular weight 386.11 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yloxy)-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone.
Chemical Property Profile of ChemDiv1_021234
Property Insights of ChemDiv1_021234
The XLogP value of 5.1386 indicates that ChemDiv1_021234 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.43 Ų, ChemDiv1_021234 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_021234 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_021234?
The CAS number of ChemDiv1_021234 is 314039-93-5.
What is the molecular formula of ChemDiv1_021234?
The molecular formula of ChemDiv1_021234 is C23H18N2O2S.
What is the molecular weight of ChemDiv1_021234?
The molecular weight of ChemDiv1_021234 is 386.11 g/mol.
Where can I buy ChemDiv1_021234?
You can request a quote for ChemDiv1_021234 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021234?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021234 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.