AH 18801
TL;DR: AH 18801 (CAS 66357-17-3) is a chemical compound with molecular formula C13H21N5OS and molecular weight 295.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-methylguanidine
Also Known As: Guanidine, N-cyano-N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N''-methyl-, N-(2-(((5-((Dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N'-methyl-N''-cyanoguanidine, 1-cyano-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-methylguanidine, Pyrrolidine,1-[2-[(2-benzo[b]thien-2-ylethyl)thio]ethyl]-,hydrochloride, 1-cyano-3-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-methylguanidine
| Molecular Formula | C13H21N5OS |
|---|---|
| Molecular Weight | 295.15 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 295.14667 |
| Heavy Atoms | 20 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 66357-17-3 |
|---|---|
| SMILES | CN=C(NCCSCC1=CC=C(O1)CN(C)C)NC#N |
| InChIKey | PRNVIKLDENQXRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AH 18801 (CAS 66357-17-3), with molecular formula C13H21N5OS and molecular weight 295.15 g/mol. IUPAC: 1-cyano-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-methylguanidine.
Chemical Property Profile of AH 18801
Property Insights of AH 18801
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AH 18801. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AH 18801. Following Lipinski's Rule of Five, AH 18801 has 2 hydrogen bond donor(s) and 5 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 AH 18801?
The CAS number of AH 18801 is 66357-17-3.
What is the molecular formula of AH 18801?
The molecular formula of AH 18801 is C13H21N5OS.
What is the molecular weight of AH 18801?
The molecular weight of AH 18801 is 295.15 g/mol.
Where can I buy AH 18801?
You can request a quote for AH 18801 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH 18801?
Yes, KEHONG BIO provides custom synthesis services for AH 18801 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.