(7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl) 4-methoxybenzoate
TL;DR: (7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl) 4-methoxybenzoate (CAS 76231-29-3) is a chemical compound with molecular formula C16H21NO3 and molecular weight 275.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl) 4-methoxybenzoate
Also Known As: Ehretinine, 7-methylhexahydro-1h-pyrrolizin-1-yl 4-methoxybenzoate, (7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl) 4-methoxybenzoate, Benzoic acid, 4-methoxy-, hexahydro-7-methyl-1H-pyrroliziN-1-yl ester, (1R-(1alpha,7alpha,7abeta))-
| Molecular Formula | C16H21NO3 |
|---|---|
| Molecular Weight | 275.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.15213 |
| Heavy Atoms | 20 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 76231-29-3 |
|---|---|
| SMILES | CC1CCN2C1C(CC2)OC(=O)C3=CC=C(C=C3)OC |
| InChIKey | PIRUMYPCEYRZQG-UHFFFAOYSA-N |
Product Overview
(7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl) 4-methoxybenzoate (CAS 76231-29-3), with molecular formula C16H21NO3 and molecular weight 275.15 g/mol. IUPAC: (7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl) 4-methoxybenzoate.
Chemical Property Profile of (7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl) 4-methoxybenzoate
Property Insights of (7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl) 4-methoxybenzoate
The XLogP value of 3.0 indicates that (7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl) 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, (7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl) 4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl) 4-methoxybenzoate has 0 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 (7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl) 4-methoxybenzoate?
The CAS number of (7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl) 4-methoxybenzoate is 76231-29-3.
What is the molecular formula of (7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl) 4-methoxybenzoate?
The molecular formula of (7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl) 4-methoxybenzoate is C16H21NO3.
What is the molecular weight of (7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl) 4-methoxybenzoate?
The molecular weight of (7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl) 4-methoxybenzoate is 275.15 g/mol.
Where can I buy (7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl) 4-methoxybenzoate?
You can request a quote for (7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl) 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl) 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl) 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.