RefChem:1064245
TL;DR: RefChem:1064245 (CAS 80762-88-5) is a chemical compound with molecular formula C15H27NO6 and molecular weight 317.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(3-methylbut-2-enoxy)-3-(propan-2-ylamino)propan-2-ol
Also Known As: Isopropylamino-3 prenyloxy-1 propanol-2 fumarate, Isopropylamino-3 prenyloxy-1 propanol-2 fumarate [French], 1-((3-Methyl-2-butenyl)oxy)-3-((1-methylethyl)amino)-2-propanol (E)-2-butenedioate (1:1), 2-Propanol, 1-((3-methyl-2-butenyl)oxy)-3-((1-methylethyl)amino)-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-(3-methylbut-2-enoxy)-3-(propan-2-ylamino)propan-2-ol
| Molecular Formula | C15H27NO6 |
|---|---|
| Molecular Weight | 317.18 g/mol |
| LogP | 1.0399 |
| Topological Polar Surface Area | 116.09 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 317.18384 |
| Heavy Atoms | 22 |
| Complexity | 356.22897 |
Chemical Identifiers
| CAS Number | 80762-88-5 |
|---|---|
| SMILES | CC(C)NCC(COCC=C(C)C)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1064245 (CAS 80762-88-5), with molecular formula C15H27NO6 and molecular weight 317.18 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(3-methylbut-2-enoxy)-3-(propan-2-ylamino)propan-2-ol.
Chemical Property Profile of RefChem:1064245
Property Insights of RefChem:1064245
The XLogP value of 1.0399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1064245. The TPSA of 116.09 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1064245. Following Lipinski's Rule of Five, RefChem:1064245 has 4 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:1064245?
The CAS number of RefChem:1064245 is 80762-88-5.
What is the molecular formula of RefChem:1064245?
The molecular formula of RefChem:1064245 is C15H27NO6.
What is the molecular weight of RefChem:1064245?
The molecular weight of RefChem:1064245 is 317.18 g/mol.
Where can I buy RefChem:1064245?
You can request a quote for RefChem:1064245 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064245?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064245 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.