RefChem:1070302
TL;DR: RefChem:1070302 (CAS 57645-37-1) is a chemical compound with molecular formula C20H27Cl2N3O2 and molecular weight 411.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-3-methoxyphenyl]azanium dichloride
Also Known As: Benzamide, 4-amino-2-methoxy-N-(1-(phenylmethyl)-4-piperidinyl)-, dihydrochloride, N-(1'-Benzyl-4'-piperidyl)-2-methoxy-4-aminobenzamide dihydrochloride, 4-Amino-2-methoxy-N-(1-(phenylmethyl)-4-piperidinyl)benzamide dihydrochloride, [4-[(1-Benzylpiperidin-1-ium-4-yl)carbamoyl]-3-methoxyphenyl]azaniumdichloride, [4-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-3-methoxyphenyl]azanium dichloride
| Molecular Formula | C20H27Cl2N3O2 |
|---|---|
| Molecular Weight | 411.15 g/mol |
| LogP | -5.45 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.14804 |
| Heavy Atoms | 27 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 57645-37-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[NH3+])C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3.[Cl-].[Cl-] |
| InChIKey | GUSCUQNRSKOYOW-UHFFFAOYSA-N |
Product Overview
RefChem:1070302 (CAS 57645-37-1), with molecular formula C20H27Cl2N3O2 and molecular weight 411.15 g/mol. IUPAC: [4-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-3-methoxyphenyl]azanium dichloride.
Chemical Property Profile of RefChem:1070302
Property Insights of RefChem:1070302
The XLogP value of -5.45 indicates that RefChem:1070302 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1070302. Following Lipinski's Rule of Five, RefChem:1070302 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 RefChem:1070302?
The CAS number of RefChem:1070302 is 57645-37-1.
What is the molecular formula of RefChem:1070302?
The molecular formula of RefChem:1070302 is C20H27Cl2N3O2.
What is the molecular weight of RefChem:1070302?
The molecular weight of RefChem:1070302 is 411.15 g/mol.
Where can I buy RefChem:1070302?
You can request a quote for RefChem:1070302 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1070302?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1070302 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.