N-(4-Chloro-benzoyl)-N'-furan-2-ylmethyl-guanidine
TL;DR: N-(4-Chloro-benzoyl)-N'-furan-2-ylmethyl-guanidine (CAS 497245-48-4) is a chemical compound with molecular formula C13H12ClN3O2 and molecular weight 277.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[N'-(furan-2-ylmethyl)carbamimidoyl]benzamide
Also Known As: ChemDiv3_004180, BAS 04914257, IDI1_022090, N-(4-Chloro-benzoyl)-N'-furan-2-ylmethyl-guanidine, 4-chloro-N-(N-(furan-2-ylmethyl)carbamimidoyl)benzamide
| Molecular Formula | C13H12ClN3O2 |
|---|---|
| Molecular Weight | 277.06 g/mol |
| LogP | 2.1777 |
| Topological Polar Surface Area | 80.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.0618 |
| Heavy Atoms | 19 |
| Complexity | 576.4456 |
Chemical Identifiers
| CAS Number | 497245-48-4 |
|---|---|
| SMILES | C1=COC(=C1)CN=C(N)NC(=O)C2=CC=C(C=C2)Cl |
Product Overview
N-(4-Chloro-benzoyl)-N'-furan-2-ylmethyl-guanidine (CAS 497245-48-4), with molecular formula C13H12ClN3O2 and molecular weight 277.06 g/mol. IUPAC: 4-chloro-N-[N'-(furan-2-ylmethyl)carbamimidoyl]benzamide.
Chemical Property Profile of N-(4-Chloro-benzoyl)-N'-furan-2-ylmethyl-guanidine
Property Insights of N-(4-Chloro-benzoyl)-N'-furan-2-ylmethyl-guanidine
The XLogP value of 2.1777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Chloro-benzoyl)-N'-furan-2-ylmethyl-guanidine. The TPSA of 80.62 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Chloro-benzoyl)-N'-furan-2-ylmethyl-guanidine. Following Lipinski's Rule of Five, N-(4-Chloro-benzoyl)-N'-furan-2-ylmethyl-guanidine has 2 hydrogen bond donor(s) and 3 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 N-(4-Chloro-benzoyl)-N'-furan-2-ylmethyl-guanidine?
The CAS number of N-(4-Chloro-benzoyl)-N'-furan-2-ylmethyl-guanidine is 497245-48-4.
What is the molecular formula of N-(4-Chloro-benzoyl)-N'-furan-2-ylmethyl-guanidine?
The molecular formula of N-(4-Chloro-benzoyl)-N'-furan-2-ylmethyl-guanidine is C13H12ClN3O2.
What is the molecular weight of N-(4-Chloro-benzoyl)-N'-furan-2-ylmethyl-guanidine?
The molecular weight of N-(4-Chloro-benzoyl)-N'-furan-2-ylmethyl-guanidine is 277.06 g/mol.
Where can I buy N-(4-Chloro-benzoyl)-N'-furan-2-ylmethyl-guanidine?
You can request a quote for N-(4-Chloro-benzoyl)-N'-furan-2-ylmethyl-guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Chloro-benzoyl)-N'-furan-2-ylmethyl-guanidine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Chloro-benzoyl)-N'-furan-2-ylmethyl-guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.