1,3-二碘丁烷
TL;DR: 1,3-二碘丁烷 (CAS 18371-33-0) is a chemical compound with molecular formula C23H23BrN2O2S2 and molecular weight 502.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-二碘丁烷
2-[2-[5-[3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-benzothiazol-3-yl]ethanol bromide
Also Known As: Butane,1,3-diiodo, Benzothiazolium, 3-(2-hydroxyethyl)-2-(5-(3-(2-hydroxyethyl)-2(3H)-benzothiazolylidene)-1,3-pentadienyl)-, bromide, Benzothiazolium, 3-(2-hydroxyethyl)-2-(5-(3-(2-hydroxyethyl)-2(3H)-benzothiazolylidene)-1,3-pentadien-1-yl)-, bromide (1:1), Benzothiazolium, 3-(2-hydroxyethyl)-2-[5-[3-(2-hydroxyethyl)-2(3H)-benzothiazolylidene]-1,3-pentadien-1-yl]-, bromide (1:1), Benzothiazolium, 3-(2-hydroxyethyl)-2-[5-[3-(2-hydroxyethyl)-2(3H)-benzothiazolylidene]-1,3-pentadienyl]-, bromide
| Molecular Formula | C23H23BrN2O2S2 |
|---|---|
| Molecular Weight | 502.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 502.03842 |
| Heavy Atoms | 30 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 18371-33-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CCO)S2)CCO.[Br-] |
| InChIKey | FSILXDXZXIDNAO-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-二碘丁烷 (CAS 18371-33-0), with molecular formula C23H23BrN2O2S2 and molecular weight 502.04 g/mol. IUPAC: 2-[2-[5-[3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-benzothiazol-3-yl]ethanol bromide.
Chemical Property Profile of 1,3-二碘丁烷
Property Insights of 1,3-二碘丁烷
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-二碘丁烷. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-二碘丁烷. Following Lipinski's Rule of Five, 1,3-二碘丁烷 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-二碘丁烷?
The CAS number of 1,3-二碘丁烷 is 18371-33-0.
What is the molecular formula of 1,3-二碘丁烷?
The molecular formula of 1,3-二碘丁烷 is C23H23BrN2O2S2.
What is the molecular weight of 1,3-二碘丁烷?
The molecular weight of 1,3-二碘丁烷 is 502.04 g/mol.
Where can I buy 1,3-二碘丁烷?
You can request a quote for 1,3-二碘丁烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-二碘丁烷?
Yes, KEHONG BIO provides custom synthesis services for 1,3-二碘丁烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.