McN-3935-46
TL;DR: McN-3935-46 (CAS 78782-47-5) is a chemical compound with molecular formula C20H26N4O5 and molecular weight 402.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide
Also Known As: McN-3935-46
| Molecular Formula | C20H26N4O5 |
|---|---|
| Molecular Weight | 402.19 g/mol |
| LogP | 1.84 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.1903 |
| Heavy Atoms | 29 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 78782-47-5 |
|---|---|
| SMILES | CN1CCCC1=NC(=NC2=CC=CC=C2)N3CCOCC3.C(=CC(=O)O)C(=O)O |
| InChIKey | ZSAMTXUUUFXIII-UHFFFAOYSA-N |
Product Overview
McN-3935-46 (CAS 78782-47-5), with molecular formula C20H26N4O5 and molecular weight 402.19 g/mol. IUPAC: but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide.
Chemical Property Profile of McN-3935-46
Property Insights of McN-3935-46
The XLogP value of 1.84 suggests moderate lipophilicity, balancing water solubility and membrane permeability for McN-3935-46. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for McN-3935-46. Following Lipinski's Rule of Five, McN-3935-46 has 2 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 McN-3935-46?
The CAS number of McN-3935-46 is 78782-47-5.
What is the molecular formula of McN-3935-46?
The molecular formula of McN-3935-46 is C20H26N4O5.
What is the molecular weight of McN-3935-46?
The molecular weight of McN-3935-46 is 402.19 g/mol.
Where can I buy McN-3935-46?
You can request a quote for McN-3935-46 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for McN-3935-46?
Yes, KEHONG BIO provides custom synthesis services for McN-3935-46 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.