RefChem:1073779
TL;DR: RefChem:1073779 (CAS 83540-28-7) is a chemical compound with molecular formula C15H23N5O4 and molecular weight 337.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-imino-6-[3-(prop-2-enoxymethyl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine
Also Known As: 1,4-Dioxa-8-azaspiro(4.5)decane, 2-(allyloxymethyl)-8-(2,6-diamino-4-pyrimidinyl)-, 1-oxide, 2-(Allyloxymethyl)-8-(2,6-diamino-4-pyrimidinyl)-1,4-dioxa-8-azaspiro(4.5)decane 1'-oxide, 3-Hydroxy-2-imino-6-[2-(prop-2-enoxymethyl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine, 1,4-DIOXA-8-AZASPIRO(4.5)DECANE, 2-(ALLYLOXYMETHYL)-8-(2,6-DIAMINO-4-PYRIMIDINYL, 2,6-diamino-4-{2-[(prop-2-en-1-yloxy)methyl]-1,4-dioxa-8-azaspiro[4.5]decan-8-yl}pyrimidin-1-ium-1-olate
| Molecular Formula | C15H23N5O4 |
|---|---|
| Molecular Weight | 337.18 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.17502 |
| Heavy Atoms | 24 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 83540-28-7 |
|---|---|
| SMILES | C=CCOCC1COC2(O1)CCN(CC2)C3=NC(=N)N(C(=C3)N)O |
| InChIKey | YHAPSXCNPRCEGM-UHFFFAOYSA-N |
Product Overview
RefChem:1073779 (CAS 83540-28-7), with molecular formula C15H23N5O4 and molecular weight 337.18 g/mol. IUPAC: 3-hydroxy-2-imino-6-[3-(prop-2-enoxymethyl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine.
Chemical Property Profile of RefChem:1073779
Property Insights of RefChem:1073779
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1073779. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1073779. Following Lipinski's Rule of Five, RefChem:1073779 has 3 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:1073779?
The CAS number of RefChem:1073779 is 83540-28-7.
What is the molecular formula of RefChem:1073779?
The molecular formula of RefChem:1073779 is C15H23N5O4.
What is the molecular weight of RefChem:1073779?
The molecular weight of RefChem:1073779 is 337.18 g/mol.
Where can I buy RefChem:1073779?
You can request a quote for RefChem:1073779 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073779?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073779 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.