3alpha,6beta-Ditigloyloxytropan-7beta-ol
TL;DR: 3alpha,6beta-Ditigloyloxytropan-7beta-ol (CAS 51261-73-5) is a chemical compound with molecular formula C18H27NO5 and molecular weight 337.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5R)-6-hydroxy-8-methyl-7-[(E)-2-methylbut-2-enoyl]oxy-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate
Also Known As: 3alpha,6beta-Ditigloyloxytropan-7beta-ol, 7-Hydroxy-3,6-bis(tigloyloxy)tropane, [(1R)-7-hydroxy-8-methyl-6-[(E)-2-methylbut-2-enoyl]oxy-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate, 2-Butenoic acid, 2-methyl-, 7-hydroxy-8-methyl-8-azabicyclo(3.2.1)octane-3,6-diyl ester, (1alpha,3beta(E),5alpha,6alpha(E),7alpha)-
| Molecular Formula | C18H27NO5 |
|---|---|
| Molecular Weight | 337.19 g/mol |
| LogP | 1.5797 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.18893 |
| Heavy Atoms | 24 |
| Complexity | 567.7564 |
Chemical Identifiers
| CAS Number | 51261-73-5 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)OC1C[C@@H]2C(C(C(C1)N2C)OC(=O)/C(=C/C)/C)O |
Product Overview
3alpha,6beta-Ditigloyloxytropan-7beta-ol (CAS 51261-73-5), with molecular formula C18H27NO5 and molecular weight 337.19 g/mol. IUPAC: [(5R)-6-hydroxy-8-methyl-7-[(E)-2-methylbut-2-enoyl]oxy-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate.
Chemical Property Profile of 3alpha,6beta-Ditigloyloxytropan-7beta-ol
Property Insights of 3alpha,6beta-Ditigloyloxytropan-7beta-ol
The XLogP value of 1.5797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3alpha,6beta-Ditigloyloxytropan-7beta-ol. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3alpha,6beta-Ditigloyloxytropan-7beta-ol. Following Lipinski's Rule of Five, 3alpha,6beta-Ditigloyloxytropan-7beta-ol has 1 hydrogen bond donor(s) and 6 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 3alpha,6beta-Ditigloyloxytropan-7beta-ol?
The CAS number of 3alpha,6beta-Ditigloyloxytropan-7beta-ol is 51261-73-5.
What is the molecular formula of 3alpha,6beta-Ditigloyloxytropan-7beta-ol?
The molecular formula of 3alpha,6beta-Ditigloyloxytropan-7beta-ol is C18H27NO5.
What is the molecular weight of 3alpha,6beta-Ditigloyloxytropan-7beta-ol?
The molecular weight of 3alpha,6beta-Ditigloyloxytropan-7beta-ol is 337.19 g/mol.
Where can I buy 3alpha,6beta-Ditigloyloxytropan-7beta-ol?
You can request a quote for 3alpha,6beta-Ditigloyloxytropan-7beta-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3alpha,6beta-Ditigloyloxytropan-7beta-ol?
Yes, KEHONG BIO provides custom synthesis services for 3alpha,6beta-Ditigloyloxytropan-7beta-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.