PMBO-lepidine
TL;DR: PMBO-lepidine (CAS 93719-13-2) is a chemical compound with molecular formula C14H14N2O6S4 and molecular weight 433.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
Also Known As: PMBO-lepidine, ETHYL 2-[(5E)-5-[3-(ETHOXYCARBONYLMETHYL)-4-OXO-2-SULFANYLIDENE-THIAZOLIDIN-5-YLIDENE]-4-OXO-2-SULFANYLIDENE-THIAZOLIDIN-3-YL]ACETATE, ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate, Ethyl {5-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetate
| Molecular Formula | C14H14N2O6S4 |
|---|---|
| Molecular Weight | 433.97 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 433.97348 |
| Heavy Atoms | 26 |
| Complexity | 675.0 |
Chemical Identifiers
| CAS Number | 93719-13-2 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C(=C2C(=O)N(C(=S)S2)CC(=O)OCC)SC1=S |
| InChIKey | TTZRXKIUWHOQQO-UHFFFAOYSA-N |
Product Overview
PMBO-lepidine (CAS 93719-13-2), with molecular formula C14H14N2O6S4 and molecular weight 433.97 g/mol. IUPAC: ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of PMBO-lepidine
Property Insights of PMBO-lepidine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PMBO-lepidine. The TPSA of 208.0 Ų indicates high polarity, suggesting PMBO-lepidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PMBO-lepidine has 0 hydrogen bond donor(s) and 10 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 PMBO-lepidine?
The CAS number of PMBO-lepidine is 93719-13-2.
What is the molecular formula of PMBO-lepidine?
The molecular formula of PMBO-lepidine is C14H14N2O6S4.
What is the molecular weight of PMBO-lepidine?
The molecular weight of PMBO-lepidine is 433.97 g/mol.
Where can I buy PMBO-lepidine?
You can request a quote for PMBO-lepidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PMBO-lepidine?
Yes, KEHONG BIO provides custom synthesis services for PMBO-lepidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.