RefChem:97036
TL;DR: RefChem:97036 (CAS 60057-00-3) is a chemical compound with molecular formula C18H29BrO4 and molecular weight 388.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-bromo-5-cyclohexyl-3-hydroxypent-1-enyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol
Also Known As: 4-(2-Bromo-5-cyclohexyl-3-hydroxy-1-penten-1-yl)hexahydro-2H-cyclopenta(b)furan-2,5-diol, 4-(2-BROMO-5-CYCLOHEXYL-3-HYDROXY-1-PENTEN-1-YL)HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-2,5-DIOL, 4-(2-bromo-5-cyclohexyl-3-hydroxypent-1-enyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol, 2H-Cyclopenta[b]furan-2,5-diol,4-(2-bromo-5-cyclohexyl-3-hydroxy-1-penten-1-yl)hexahydro, 2H-Cyclopenta[b]furan-2,5-diol,4-(2-bromo-5-cyclohexyl-3-hydroxy-1-penten-1-yl)hexahydro-
| Molecular Formula | C18H29BrO4 |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.1249 |
| Heavy Atoms | 23 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 60057-00-3 |
|---|---|
| SMILES | C1CCC(CC1)CCC(C(=CC2C3CC(OC3CC2O)O)Br)O |
| InChIKey | VUGKYGPJUXNQSS-UHFFFAOYSA-N |
Product Overview
RefChem:97036 (CAS 60057-00-3), with molecular formula C18H29BrO4 and molecular weight 388.12 g/mol. IUPAC: 4-(2-bromo-5-cyclohexyl-3-hydroxypent-1-enyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol.
Chemical Property Profile of RefChem:97036
Property Insights of RefChem:97036
The XLogP value of 3.4 indicates that RefChem:97036 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:97036. Following Lipinski's Rule of Five, RefChem:97036 has 3 hydrogen bond donor(s) and 4 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:97036?
The CAS number of RefChem:97036 is 60057-00-3.
What is the molecular formula of RefChem:97036?
The molecular formula of RefChem:97036 is C18H29BrO4.
What is the molecular weight of RefChem:97036?
The molecular weight of RefChem:97036 is 388.12 g/mol.
Where can I buy RefChem:97036?
You can request a quote for RefChem:97036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:97036?
Yes, KEHONG BIO provides custom synthesis services for RefChem:97036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.