RefChem:1064228
TL;DR: RefChem:1064228 (CAS 80762-90-9) is a chemical compound with molecular formula C16H29NO6 and molecular weight 331.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(tert-butylamino)-3-(2-methylbut-3-en-2-yloxy)propan-2-ol
Also Known As: 1-(t-Butylamino)-3-(1,1-dimethyl-2-propenyloxy)-2-propanol maleate, 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((1,1-dimethyl-2-propenyl)oxy)-, (Z)-2-butenedioate (1:1), Tertiobutylamino-3 (methyl-2 butene-3 yl-2)oxy-1 propanol-2 maleate [French], Tertiobutylamino-3 (methyl-2 butene-3 yl-2)oxy-1 propanol-2 maleate, (E)-but-2-enedioic acid; 1-(tert-butylamino)-3-(2-methylbut-3-en-2-yloxy)propan-2-ol
| Molecular Formula | C16H29NO6 |
|---|---|
| Molecular Weight | 331.20 g/mol |
| LogP | 1.4284 |
| Topological Polar Surface Area | 116.09 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 331.1995 |
| Heavy Atoms | 23 |
| Complexity | 393.28375 |
Chemical Identifiers
| CAS Number | 80762-90-9 |
|---|---|
| SMILES | CC(C)(C)NCC(COC(C)(C)C=C)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1064228 (CAS 80762-90-9), with molecular formula C16H29NO6 and molecular weight 331.20 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(tert-butylamino)-3-(2-methylbut-3-en-2-yloxy)propan-2-ol.
Chemical Property Profile of RefChem:1064228
Property Insights of RefChem:1064228
The XLogP value of 1.4284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1064228. The TPSA of 116.09 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1064228. Following Lipinski's Rule of Five, RefChem:1064228 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:1064228?
The CAS number of RefChem:1064228 is 80762-90-9.
What is the molecular formula of RefChem:1064228?
The molecular formula of RefChem:1064228 is C16H29NO6.
What is the molecular weight of RefChem:1064228?
The molecular weight of RefChem:1064228 is 331.20 g/mol.
Where can I buy RefChem:1064228?
You can request a quote for RefChem:1064228 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064228?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064228 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.