1h3c
TL;DR: 1h3c (CAS 192441-87-5) is a chemical compound with molecular formula C23H27BrN2OS and molecular weight 458.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]-N-methyl-N-prop-2-enylhexan-1-amine
Also Known As: 1h3c, N-(6-{[3-(4-BROMOPHENYL)-1,2-BENZISOTHIAZOL-6-YL]OXY}HEXYL)-N-METHYLPROP-2-EN-1-AMINE, (6-((3-(4-bromophenyl)-1,2-benzothiazol-6-yl)oxy)hexyl)(methyl)(prop-2-en-1-yl)amine, (6-{[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy}hexyl)(methyl)(prop-2-en-1-yl)amine, 6-[[3-(4-Bromophenyl)-1,2-benzisothiazol-6-yl]oxy]-N-methyl-N-2-propen-1-yl-1-hexanamine
| Molecular Formula | C23H27BrN2OS |
|---|---|
| Molecular Weight | 458.10 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 458.10275 |
| Heavy Atoms | 28 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 192441-87-5 |
|---|---|
| SMILES | CN(CCCCCCOC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Br)CC=C |
| InChIKey | UCIDPJLYUKNYFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1h3c (CAS 192441-87-5), with molecular formula C23H27BrN2OS and molecular weight 458.10 g/mol. IUPAC: 6-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]-N-methyl-N-prop-2-enylhexan-1-amine.
Chemical Property Profile of 1h3c
Property Insights of 1h3c
The XLogP value of 6.8 indicates that 1h3c is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, 1h3c exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1h3c 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 1h3c?
The CAS number of 1h3c is 192441-87-5.
What is the molecular formula of 1h3c?
The molecular formula of 1h3c is C23H27BrN2OS.
What is the molecular weight of 1h3c?
The molecular weight of 1h3c is 458.10 g/mol.
Where can I buy 1h3c?
You can request a quote for 1h3c directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1h3c?
Yes, KEHONG BIO provides custom synthesis services for 1h3c and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.