RefChem:353039
TL;DR: RefChem:353039 (CAS 88165-26-8) is a chemical compound with molecular formula C11H16O5 and molecular weight 228.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3aR,7R,7aS)-7-hydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
Also Known As: Methyl (3aR,7R,7aS)-3a,6,7,7a-tetrahydro-7-hydroxy-2,2-dimethyl-1,3-benzodioxole-5-carboxylate, J1.647.513K, (3aR)-2,2-Dimethyl-7beta-hydroxy-3abeta,6,7,7abeta-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester, methyl (3aR,7R,7aS)-7-hydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-2H-1,3-benzodioxole-5-carboxylate, 2,2-Dimethyl-7beta-hydroxy-3abeta,6,7,7abeta-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester
| Molecular Formula | C11H16O5 |
|---|---|
| Molecular Weight | 228.10 g/mol |
| LogP | 0.3705 |
| Topological Polar Surface Area | 64.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.09978 |
| Heavy Atoms | 16 |
| Complexity | 333.26663 |
Chemical Identifiers
| CAS Number | 88165-26-8 |
|---|---|
| SMILES | CC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)O)C(=O)OC)C |
Product Overview
RefChem:353039 (CAS 88165-26-8), with molecular formula C11H16O5 and molecular weight 228.10 g/mol. IUPAC: methyl (3aR,7R,7aS)-7-hydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of RefChem:353039
Property Insights of RefChem:353039
The XLogP value of 0.3705 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:353039. The TPSA of 64.99 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:353039. Following Lipinski's Rule of Five, RefChem:353039 has 1 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:353039?
The CAS number of RefChem:353039 is 88165-26-8.
What is the molecular formula of RefChem:353039?
The molecular formula of RefChem:353039 is C11H16O5.
What is the molecular weight of RefChem:353039?
The molecular weight of RefChem:353039 is 228.10 g/mol.
Where can I buy RefChem:353039?
You can request a quote for RefChem:353039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:353039?
Yes, KEHONG BIO provides custom synthesis services for RefChem:353039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.