3-Methylsulfonyl-4-piperidinobenzoyl guanidine
TL;DR: 3-Methylsulfonyl-4-piperidinobenzoyl guanidine (CAS 141923-47-9) is a chemical compound with molecular formula C14H21ClN4O3S and molecular weight 360.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(diaminomethylidene)-3-methylsulfonyl-4-piperidin-1-ylbenzamide;hydrochloride
Also Known As: Hoe 694, HOE694, 3-methylsulfonyl-4-piperidinobenzoyl guanidine, 3-METHYLSULFONYL-4-PIPERIDIN-1-YLBENZOYL GUANIDINE, 3-methylsulfonyl-4-piperidinoben-zoyl guanidine hydrochloride
| Molecular Formula | C14H21ClN4O3S |
|---|---|
| Molecular Weight | 360.10 g/mol |
| LogP | 0.9158 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.1023 |
| Heavy Atoms | 23 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 141923-47-9 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)N2CCCCC2.Cl |
| InChIKey | XARNMUQDYQFLNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylsulfonyl-4-piperidinobenzoyl guanidine (CAS 141923-47-9), with molecular formula C14H21ClN4O3S and molecular weight 360.10 g/mol. IUPAC: N-(diaminomethylidene)-3-methylsulfonyl-4-piperidin-1-ylbenzamide;hydrochloride.
Chemical Property Profile of 3-Methylsulfonyl-4-piperidinobenzoyl guanidine
Property Insights of 3-Methylsulfonyl-4-piperidinobenzoyl guanidine
The XLogP value of 0.9158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylsulfonyl-4-piperidinobenzoyl guanidine. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methylsulfonyl-4-piperidinobenzoyl guanidine. Following Lipinski's Rule of Five, 3-Methylsulfonyl-4-piperidinobenzoyl guanidine has 3 hydrogen bond donor(s) and 4 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 3-Methylsulfonyl-4-piperidinobenzoyl guanidine?
The CAS number of 3-Methylsulfonyl-4-piperidinobenzoyl guanidine is 141923-47-9.
What is the molecular formula of 3-Methylsulfonyl-4-piperidinobenzoyl guanidine?
The molecular formula of 3-Methylsulfonyl-4-piperidinobenzoyl guanidine is C14H21ClN4O3S.
What is the molecular weight of 3-Methylsulfonyl-4-piperidinobenzoyl guanidine?
The molecular weight of 3-Methylsulfonyl-4-piperidinobenzoyl guanidine is 360.10 g/mol.
Where can I buy 3-Methylsulfonyl-4-piperidinobenzoyl guanidine?
You can request a quote for 3-Methylsulfonyl-4-piperidinobenzoyl guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylsulfonyl-4-piperidinobenzoyl guanidine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylsulfonyl-4-piperidinobenzoyl guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.