YM 13650
TL;DR: YM 13650 (CAS 87545-58-2) is a chemical compound with molecular formula C18H12N2O4S and molecular weight 352.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenoxy)-3-oxopropanoic acid
Also Known As: 2-(3-Carboxyacetoxyphenyl)imidazo(2,1-b)benzothiazole, 3-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenoxy)-3-oxopropanoic acid, 2-(m-carboxyacetoxyphenyl)imidazo[2,1-b]benzothiazole, Propanedioic acid, mono(3-imidazo(2,1-b)benzothiazol-2-ylphenyl) ester, 3-(3-(Benzo[d]imidazo[2,1-b]thiazol-2-yl)phenoxy)-3-oxopropanoic acid
| Molecular Formula | C18H12N2O4S |
|---|---|
| Molecular Weight | 352.05 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.0518 |
| Heavy Atoms | 25 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 87545-58-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C=C(N=C3S2)C4=CC(=CC=C4)OC(=O)CC(=O)O |
| InChIKey | DNWBCBXQFVFCFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
YM 13650 (CAS 87545-58-2), with molecular formula C18H12N2O4S and molecular weight 352.05 g/mol. IUPAC: 3-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenoxy)-3-oxopropanoic acid.
Chemical Property Profile of YM 13650
Property Insights of YM 13650
The XLogP value of 4.4 indicates that YM 13650 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for YM 13650. Following Lipinski's Rule of Five, YM 13650 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 YM 13650?
The CAS number of YM 13650 is 87545-58-2.
What is the molecular formula of YM 13650?
The molecular formula of YM 13650 is C18H12N2O4S.
What is the molecular weight of YM 13650?
The molecular weight of YM 13650 is 352.05 g/mol.
Where can I buy YM 13650?
You can request a quote for YM 13650 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for YM 13650?
Yes, KEHONG BIO provides custom synthesis services for YM 13650 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.