C23H25N5OS2.ClH.1/2H2O
TL;DR: C23H25N5OS2.ClH.1/2H2O (CAS 145759-34-8) is a chemical compound with molecular formula C23H26ClN5OS2 and molecular weight 487.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1,2-benzothiazole-3-carboxamide;hydrochloride
Also Known As: C23H25N5OS2.ClH.1/2H2O, 1,2-Benzisothiazole-3-carboxamide, N-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)-, hydrochloride, hydrate (2:2:1), C23-H25-N5-O-S2.Cl-H.1/2H2-O, N-[4-(1(1,2-Benzisothiazol-3-yl)-4-piperazinyl)butyl]-1,2-benzisothiazole-3-carboxa mide hydrochloride, N-[4-(1-(1,2-Benzisothiazol-3-yl)-4-piperazinyl)butyl]-1,2-benzisothiazole-3-carboxamide hydrochloride
| Molecular Formula | C23H26ClN5OS2 |
|---|---|
| Molecular Weight | 487.13 g/mol |
| LogP | 4.66 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.12674 |
| Heavy Atoms | 32 |
| Complexity | 1185.2943 |
Chemical Identifiers
| CAS Number | 145759-34-8 |
|---|---|
| SMILES | C1CN(CCN1CCCCNC(=O)C2=NSC3=CC=CC=C32)C4=NSC5=CC=CC=C54.Cl |
Product Overview
C23H25N5OS2.ClH.1/2H2O (CAS 145759-34-8), with molecular formula C23H26ClN5OS2 and molecular weight 487.13 g/mol. IUPAC: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1,2-benzothiazole-3-carboxamide;hydrochloride.
Chemical Property Profile of C23H25N5OS2.ClH.1/2H2O
Property Insights of C23H25N5OS2.ClH.1/2H2O
The XLogP value of 4.66 indicates that C23H25N5OS2.ClH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for C23H25N5OS2.ClH.1/2H2O. Following Lipinski's Rule of Five, C23H25N5OS2.ClH.1/2H2O has 1 hydrogen bond donor(s) and 7 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 C23H25N5OS2.ClH.1/2H2O?
The CAS number of C23H25N5OS2.ClH.1/2H2O is 145759-34-8.
What is the molecular formula of C23H25N5OS2.ClH.1/2H2O?
The molecular formula of C23H25N5OS2.ClH.1/2H2O is C23H26ClN5OS2.
What is the molecular weight of C23H25N5OS2.ClH.1/2H2O?
The molecular weight of C23H25N5OS2.ClH.1/2H2O is 487.13 g/mol.
Where can I buy C23H25N5OS2.ClH.1/2H2O?
You can request a quote for C23H25N5OS2.ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H25N5OS2.ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C23H25N5OS2.ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.