RefChem:1091157
TL;DR: RefChem:1091157 (CAS 97703-22-5) is a chemical compound with molecular formula C16H27BrN4O3 and molecular weight 402.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-cyclohexyl-3,4-dimethyl-2,6-dioxopyrimidin-5-yl)-[2-(dimethylamino)acetyl]azanium bromide
Also Known As: (1-cyclohexyl-3,4-dimethyl-2,6-dioxopyrimidin-5-yl)-[2-(dimethylamino)acetyl]azanium bromide, Acetamide, 2-(dimethylamino)-N-(3-cyclohexyl-1,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-, hydrobromide, ACETAMIDE, 2-(DIMETHYLAMINO)-N-(3-CYCLOHEXYL-1,6-DIMETHYL-2,4-DIOXO-1,2,3,4-TETR, N-(3-Cyclohexyl-1,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-(dimethylamino)ethanimidic acid--hydrogen bromide (1/1)
| Molecular Formula | C16H27BrN4O3 |
|---|---|
| Molecular Weight | 402.13 g/mol |
| LogP | -3.35 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.12665 |
| Heavy Atoms | 24 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 97703-22-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=O)N1C)C2CCCCC2)[NH2+]C(=O)CN(C)C.[Br-] |
| InChIKey | NOIBJNVNZGCHJD-UHFFFAOYSA-N |
Product Overview
RefChem:1091157 (CAS 97703-22-5), with molecular formula C16H27BrN4O3 and molecular weight 402.13 g/mol. IUPAC: (1-cyclohexyl-3,4-dimethyl-2,6-dioxopyrimidin-5-yl)-[2-(dimethylamino)acetyl]azanium bromide.
Chemical Property Profile of RefChem:1091157
Property Insights of RefChem:1091157
The XLogP value of -3.35 indicates that RefChem:1091157 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1091157. Following Lipinski's Rule of Five, RefChem:1091157 has 1 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 RefChem:1091157?
The CAS number of RefChem:1091157 is 97703-22-5.
What is the molecular formula of RefChem:1091157?
The molecular formula of RefChem:1091157 is C16H27BrN4O3.
What is the molecular weight of RefChem:1091157?
The molecular weight of RefChem:1091157 is 402.13 g/mol.
Where can I buy RefChem:1091157?
You can request a quote for RefChem:1091157 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1091157?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1091157 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.