C18H13BrN2O4S2
TL;DR: C18H13BrN2O4S2 (CAS 432001-69-9) is a chemical compound with molecular formula C18H13BrN2O4S2 and molecular weight 463.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-bromo-2-[[4-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
Also Known As: Skp2 Inhibitor C1, SKPin C1, Skp2 inhibitor C1 (SKPin C1), MDK 1699; MDK1699; Skp2 inhibitor C1;SKPin C1, 2-(4-bromo-2-((4-oxo-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid
| Molecular Formula | C18H13BrN2O4S2 |
|---|---|
| Molecular Weight | 463.95 g/mol |
| LogP | 3.7089 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.95 |
| Heavy Atoms | 27 |
| Complexity | 934.2138 |
Chemical Identifiers
| CAS Number | 432001-69-9 |
|---|---|
| SMILES | C1=CC(=CN=C1)CN2C(=O)C(=CC3=C(C=CC(=C3)Br)OCC(=O)O)SC2=S |
Product Overview
C18H13BrN2O4S2 (CAS 432001-69-9), with molecular formula C18H13BrN2O4S2 and molecular weight 463.95 g/mol. IUPAC: 2-[4-bromo-2-[[4-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of C18H13BrN2O4S2
Property Insights of C18H13BrN2O4S2
The XLogP value of 3.7089 indicates that C18H13BrN2O4S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.73 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H13BrN2O4S2. Following Lipinski's Rule of Five, C18H13BrN2O4S2 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 C18H13BrN2O4S2?
The CAS number of C18H13BrN2O4S2 is 432001-69-9.
What is the molecular formula of C18H13BrN2O4S2?
The molecular formula of C18H13BrN2O4S2 is C18H13BrN2O4S2.
What is the molecular weight of C18H13BrN2O4S2?
The molecular weight of C18H13BrN2O4S2 is 463.95 g/mol.
Where can I buy C18H13BrN2O4S2?
You can request a quote for C18H13BrN2O4S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H13BrN2O4S2?
Yes, KEHONG BIO provides custom synthesis services for C18H13BrN2O4S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.