RefChem:373137
TL;DR: RefChem:373137 (CAS 15031-52-4) is a chemical compound with molecular formula C21H33N5O4 and molecular weight 419.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(cyclohexylmethyl)piperidine;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
Also Known As: Piperidine, 1-(cyclohexylmethyl)-, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurine-7-acetate, 1-(Cyclohexylmethyl)piperidine 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurine-7-acetate, 1-(cyclohexylmethyl)piperidine; 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid, (1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetic acid--1-(cyclohexylmethyl)piperidine (1/1), RefChem:373137
| Molecular Formula | C21H33N5O4 |
|---|---|
| Molecular Weight | 419.25 g/mol |
| LogP | 1.5709 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.25327 |
| Heavy Atoms | 30 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 15031-52-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.C1CCC(CC1)CN2CCCCC2 |
| InChIKey | ASKQXJHSPCDAON-UHFFFAOYSA-N |
Product Overview
RefChem:373137 (CAS 15031-52-4), with molecular formula C21H33N5O4 and molecular weight 419.25 g/mol. IUPAC: 1-(cyclohexylmethyl)piperidine;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid.
Chemical Property Profile of RefChem:373137
Property Insights of RefChem:373137
The XLogP value of 1.5709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:373137. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:373137. Following Lipinski's Rule of Five, RefChem:373137 has 1 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 RefChem:373137?
The CAS number of RefChem:373137 is 15031-52-4.
What is the molecular formula of RefChem:373137?
The molecular formula of RefChem:373137 is C21H33N5O4.
What is the molecular weight of RefChem:373137?
The molecular weight of RefChem:373137 is 419.25 g/mol.
Where can I buy RefChem:373137?
You can request a quote for RefChem:373137 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:373137?
Yes, KEHONG BIO provides custom synthesis services for RefChem:373137 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.