RefChem:1073635
TL;DR: RefChem:1073635 (CAS 84509-24-0) is a chemical compound with molecular formula C22H29NO6 and molecular weight 403.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5-cyclohexyl-6,8-dioxa-3-azabicyclo[3.2.1]octane;(E)-but-2-enedioic acid
Also Known As: 5-Cyclohexyl-3-(phenylmethyl)-6,8-dioxa-3-azabicyclo(3.2.1)octane (Z)-2-butenedioate (1:1), 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-cyclohexyl-3-(phenylmethyl)-, (Z)-2-butenedioate (1:1), 3-benzyl-5-cyclohexyl-6,8-dioxa-3-azabicyclo[3.2.1]octane; (E)-but-2-enedioic acid, RefChem:1073635
| Molecular Formula | C22H29NO6 |
|---|---|
| Molecular Weight | 403.20 g/mol |
| LogP | 2.906 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.1995 |
| Heavy Atoms | 29 |
| Complexity | 699.27246 |
Chemical Identifiers
| CAS Number | 84509-24-0 |
|---|---|
| SMILES | C1CCC(CC1)C23CN(CC(O2)CO3)CC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1073635 (CAS 84509-24-0), with molecular formula C22H29NO6 and molecular weight 403.20 g/mol. IUPAC: 3-benzyl-5-cyclohexyl-6,8-dioxa-3-azabicyclo[3.2.1]octane;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1073635
Property Insights of RefChem:1073635
The XLogP value of 2.906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1073635. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1073635. Following Lipinski's Rule of Five, RefChem:1073635 has 2 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:1073635?
The CAS number of RefChem:1073635 is 84509-24-0.
What is the molecular formula of RefChem:1073635?
The molecular formula of RefChem:1073635 is C22H29NO6.
What is the molecular weight of RefChem:1073635?
The molecular weight of RefChem:1073635 is 403.20 g/mol.
Where can I buy RefChem:1073635?
You can request a quote for RefChem:1073635 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073635?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073635 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.