RefChem:1064255
TL;DR: RefChem:1064255 (CAS 80768-86-1) is a chemical compound with molecular formula C18H31NO6 and molecular weight 357.22 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-(cyclohex-3-en-1-ylmethoxy)propan-2-ol
Also Known As: 1-t-Butylamino-3-(3-cyclohexen-1-ylmethoxy)-2-propanol maleate, 2-Propanol, 1-(3-cyclohexen-1-ylmethoxy)-3-((1,1-dimethylethyl)amino)-, (Z)-2-butenedioate (1:1) (salt), Tertiobutylamino-3 (cyclohexen-3 yl-1) methoxy-1 propanol-2 maleate [French], Tertiobutylamino-3 (cyclohexen-3 yl-1) methoxy-1 propanol-2 maleate, (E)-but-2-enedioic acid; 1-(tert-butylamino)-3-(cyclohex-3-en-1-ylmethoxy)propan-2-ol
| Molecular Formula | C18H31NO6 |
|---|---|
| Molecular Weight | 357.22 g/mol |
| LogP | 1.8201 |
| Topological Polar Surface Area | 116.09 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 357.21515 |
| Heavy Atoms | 25 |
| Complexity | 436.97287 |
Chemical Identifiers
| CAS Number | 80768-86-1 |
|---|---|
| SMILES | CC(C)(C)NCC(COCC1CCC=CC1)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1064255 (CAS 80768-86-1), with molecular formula C18H31NO6 and molecular weight 357.22 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(tert-butylamino)-3-(cyclohex-3-en-1-ylmethoxy)propan-2-ol.
Chemical Property Profile of RefChem:1064255
Property Insights of RefChem:1064255
The XLogP value of 1.8201 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1064255. The TPSA of 116.09 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1064255. Following Lipinski's Rule of Five, RefChem:1064255 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:1064255?
The CAS number of RefChem:1064255 is 80768-86-1.
What is the molecular formula of RefChem:1064255?
The molecular formula of RefChem:1064255 is C18H31NO6.
What is the molecular weight of RefChem:1064255?
The molecular weight of RefChem:1064255 is 357.22 g/mol.
Where can I buy RefChem:1064255?
You can request a quote for RefChem:1064255 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064255?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064255 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.