methyl 12b-hydroxy-2,9,12a-trimethyl-1,2,3,7,8,8a,9,10,11,12,12a,12b-dodecahydro-3,6a-methanonaphtho[2,1-b]oxocine-9-carboxylate
TL;DR: methyl 12b-hydroxy-2,9,12a-trimethyl-1,2,3,7,8,8a,9,10,11,12,12a,12b-dodecahydro-3,6a-methanonaphtho[2,1-b]oxocine-9-carboxylate (CAS 7241-51-2) is a chemical compound with molecular formula C21H32O4 and molecular weight 348.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 10-hydroxy-5,9,12-trimethyl-16-oxatetracyclo[11.3.1.01,10.04,9]heptadec-14-ene-5-carboxylate
Also Known As: methyl 12b-hydroxy-2,9,12a-trimethyl-1,2,3,7,8,8a,9,10,11,12,12a,12b-dodecahydro-3,6a-methanonaphtho[2,1-b]oxocine-9-carboxylate
| Molecular Formula | C21H32O4 |
|---|---|
| Molecular Weight | 348.23 g/mol |
| LogP | 3.8258 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 348.23007 |
| Heavy Atoms | 25 |
| Complexity | 615.01733 |
Chemical Identifiers
| CAS Number | 7241-51-2 |
|---|---|
| SMILES | CC1CC2(C3(CCCC(C3CCC24CC1C=CO4)(C)C(=O)OC)C)O |
Product Overview
methyl 12b-hydroxy-2,9,12a-trimethyl-1,2,3,7,8,8a,9,10,11,12,12a,12b-dodecahydro-3,6a-methanonaphtho[2,1-b]oxocine-9-carboxylate (CAS 7241-51-2), with molecular formula C21H32O4 and molecular weight 348.23 g/mol. IUPAC: methyl 10-hydroxy-5,9,12-trimethyl-16-oxatetracyclo[11.3.1.01,10.04,9]heptadec-14-ene-5-carboxylate.
Chemical Property Profile of methyl 12b-hydroxy-2,9,12a-trimethyl-1,2,3,7,8,8a,9,10,11,12,12a,12b-dodecahydro-3,6a-methanonaphtho[2,1-b]oxocine-9-carboxylate
Property Insights of methyl 12b-hydroxy-2,9,12a-trimethyl-1,2,3,7,8,8a,9,10,11,12,12a,12b-dodecahydro-3,6a-methanonaphtho[2,1-b]oxocine-9-carboxylate
The XLogP value of 3.8258 indicates that methyl 12b-hydroxy-2,9,12a-trimethyl-1,2,3,7,8,8a,9,10,11,12,12a,12b-dodecahydro-3,6a-methanonaphtho[2,1-b]oxocine-9-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, methyl 12b-hydroxy-2,9,12a-trimethyl-1,2,3,7,8,8a,9,10,11,12,12a,12b-dodecahydro-3,6a-methanonaphtho[2,1-b]oxocine-9-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 12b-hydroxy-2,9,12a-trimethyl-1,2,3,7,8,8a,9,10,11,12,12a,12b-dodecahydro-3,6a-methanonaphtho[2,1-b]oxocine-9-carboxylate has 1 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 methyl 12b-hydroxy-2,9,12a-trimethyl-1,2,3,7,8,8a,9,10,11,12,12a,12b-dodecahydro-3,6a-methanonaphtho[2,1-b]oxocine-9-carboxylate?
The CAS number of methyl 12b-hydroxy-2,9,12a-trimethyl-1,2,3,7,8,8a,9,10,11,12,12a,12b-dodecahydro-3,6a-methanonaphtho[2,1-b]oxocine-9-carboxylate is 7241-51-2.
What is the molecular formula of methyl 12b-hydroxy-2,9,12a-trimethyl-1,2,3,7,8,8a,9,10,11,12,12a,12b-dodecahydro-3,6a-methanonaphtho[2,1-b]oxocine-9-carboxylate?
The molecular formula of methyl 12b-hydroxy-2,9,12a-trimethyl-1,2,3,7,8,8a,9,10,11,12,12a,12b-dodecahydro-3,6a-methanonaphtho[2,1-b]oxocine-9-carboxylate is C21H32O4.
What is the molecular weight of methyl 12b-hydroxy-2,9,12a-trimethyl-1,2,3,7,8,8a,9,10,11,12,12a,12b-dodecahydro-3,6a-methanonaphtho[2,1-b]oxocine-9-carboxylate?
The molecular weight of methyl 12b-hydroxy-2,9,12a-trimethyl-1,2,3,7,8,8a,9,10,11,12,12a,12b-dodecahydro-3,6a-methanonaphtho[2,1-b]oxocine-9-carboxylate is 348.23 g/mol.
Where can I buy methyl 12b-hydroxy-2,9,12a-trimethyl-1,2,3,7,8,8a,9,10,11,12,12a,12b-dodecahydro-3,6a-methanonaphtho[2,1-b]oxocine-9-carboxylate?
You can request a quote for methyl 12b-hydroxy-2,9,12a-trimethyl-1,2,3,7,8,8a,9,10,11,12,12a,12b-dodecahydro-3,6a-methanonaphtho[2,1-b]oxocine-9-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 12b-hydroxy-2,9,12a-trimethyl-1,2,3,7,8,8a,9,10,11,12,12a,12b-dodecahydro-3,6a-methanonaphtho[2,1-b]oxocine-9-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 12b-hydroxy-2,9,12a-trimethyl-1,2,3,7,8,8a,9,10,11,12,12a,12b-dodecahydro-3,6a-methanonaphtho[2,1-b]oxocine-9-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.