RefChem:1073780
TL;DR: RefChem:1073780 (CAS 83540-26-5) is a chemical compound with molecular formula C12H19N5O3 and molecular weight 281.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-imino-6-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine
Also Known As: 1,4-Dioxa-8-azaspiro(4.5)decane, 8-(2,6-diamino-4-pyrimidinyl)-2-methyl-, 1'-oxide, 8-(2,6-Diamino-4-pyrimidinyl)-2-methyl-1,4-dioxa-8-azaspiro(4.5)decane 1'-oxide, 2,6-diamino-4-{2-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl}pyrimidin-1-ium-1-olate, 3-hydroxy-2-imino-6-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine, 6-Amino-2-imino-4-(2-methyl-1,4-dioxa-8-azaspiro(4.5)decan-8-yl)pyrimidin-1(2H)-ol
| Molecular Formula | C12H19N5O3 |
|---|---|
| Molecular Weight | 281.15 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.1488 |
| Heavy Atoms | 20 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 83540-26-5 |
|---|---|
| SMILES | CC1COC2(O1)CCN(CC2)C3=NC(=N)N(C(=C3)N)O |
| InChIKey | RDAGQFSZPJHSQZ-UHFFFAOYSA-N |
Product Overview
RefChem:1073780 (CAS 83540-26-5), with molecular formula C12H19N5O3 and molecular weight 281.15 g/mol. IUPAC: 3-hydroxy-2-imino-6-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine.
Chemical Property Profile of RefChem:1073780
Property Insights of RefChem:1073780
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1073780. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1073780. Following Lipinski's Rule of Five, RefChem:1073780 has 3 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:1073780?
The CAS number of RefChem:1073780 is 83540-26-5.
What is the molecular formula of RefChem:1073780?
The molecular formula of RefChem:1073780 is C12H19N5O3.
What is the molecular weight of RefChem:1073780?
The molecular weight of RefChem:1073780 is 281.15 g/mol.
Where can I buy RefChem:1073780?
You can request a quote for RefChem:1073780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073780?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.