UPCMLD0ENAT5669620:001
TL;DR: UPCMLD0ENAT5669620:001 (CAS 82158-60-9) is a chemical compound with molecular formula C11H8N2O3S2 and molecular weight 280.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: UPCMLD0ENAT5669620:001, 2-[4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thi, 3-Thiazolidineaceticacid, 4-oxo-5-(3-pyridinylmethylene)-2-thioxo-, 2-[4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C11H8N2O3S2 |
|---|---|
| Molecular Weight | 280.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.99762 |
| Heavy Atoms | 18 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 82158-60-9 |
|---|---|
| SMILES | C1=CC(=CN=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O |
| InChIKey | QWRNANMPPBNWBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
UPCMLD0ENAT5669620:001 (CAS 82158-60-9), with molecular formula C11H8N2O3S2 and molecular weight 280.00 g/mol. IUPAC: 2-[4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of UPCMLD0ENAT5669620:001
Property Insights of UPCMLD0ENAT5669620:001
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5669620:001. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5669620:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5669620:001 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 UPCMLD0ENAT5669620:001?
The CAS number of UPCMLD0ENAT5669620:001 is 82158-60-9.
What is the molecular formula of UPCMLD0ENAT5669620:001?
The molecular formula of UPCMLD0ENAT5669620:001 is C11H8N2O3S2.
What is the molecular weight of UPCMLD0ENAT5669620:001?
The molecular weight of UPCMLD0ENAT5669620:001 is 280.00 g/mol.
Where can I buy UPCMLD0ENAT5669620:001?
You can request a quote for UPCMLD0ENAT5669620:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5669620:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5669620:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.