CAS 391867-46-2 - C23H23N3O3S2
TL;DR: CAS 391867-46-2 - C23H23N3O3S2 (CAS 391867-46-2) is a chemical compound with molecular formula C23H23N3O3S2 and molecular weight 453.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-3-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-hydroxyprop-2-enenitrile
Also Known As: 2-[(2E)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]phenyl}-3-oxopropanenitrile
| Molecular Formula | C23H23N3O3S2 |
|---|---|
| Molecular Weight | 453.12 g/mol |
| LogP | 4.91278 |
| Topological Polar Surface Area | 94.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.11807 |
| Heavy Atoms | 31 |
| Complexity | 1244.598 |
Chemical Identifiers
| CAS Number | 391867-46-2 |
|---|---|
| SMILES | CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=C(C#N)C3=NC4=CC=CC=C4S3)O)C |
Product Overview
CAS 391867-46-2 - C23H23N3O3S2 (CAS 391867-46-2), with molecular formula C23H23N3O3S2 and molecular weight 453.12 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-3-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-hydroxyprop-2-enenitrile.
Chemical Property Profile of CAS 391867-46-2 - C23H23N3O3S2
Property Insights of CAS 391867-46-2 - C23H23N3O3S2
The XLogP value of 4.91278 indicates that CAS 391867-46-2 - C23H23N3O3S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.29 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 391867-46-2 - C23H23N3O3S2. Following Lipinski's Rule of Five, CAS 391867-46-2 - C23H23N3O3S2 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 CAS 391867-46-2 - C23H23N3O3S2?
The CAS number of CAS 391867-46-2 - C23H23N3O3S2 is 391867-46-2.
What is the molecular formula of CAS 391867-46-2 - C23H23N3O3S2?
The molecular formula of CAS 391867-46-2 - C23H23N3O3S2 is C23H23N3O3S2.
What is the molecular weight of CAS 391867-46-2 - C23H23N3O3S2?
The molecular weight of CAS 391867-46-2 - C23H23N3O3S2 is 453.12 g/mol.
Where can I buy CAS 391867-46-2 - C23H23N3O3S2?
You can request a quote for CAS 391867-46-2 - C23H23N3O3S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 391867-46-2 - C23H23N3O3S2?
Yes, KEHONG BIO provides custom synthesis services for CAS 391867-46-2 - C23H23N3O3S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.