2-Dimethylaminoethyl-1,10-dimethyl-2,7-dihydrotetraphyllinate
TL;DR: 2-Dimethylaminoethyl-1,10-dimethyl-2,7-dihydrotetraphyllinate (CAS 77349-48-5) is a chemical compound with molecular formula C27H39N3O4 and molecular weight 469.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl (1S,15R,16S,20S)-6-methoxy-3,7,16-trimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-4(9),5,7,18-tetraene-19-carboxylate
Also Known As: 2-Dimethylaminoethyl-1,10-dimethyl-2,7-dihydrotetraphyllinate, Oxayohimban-16-carboxylic acid, 2,7-dihydro-16,17-didehydro-11-methoxy-1,10,19-trimethyl-, 2-(dimethylamino)ethyl ester, (19-alpha)-, 2-(Dimethylamino)ethyl 11-methoxy-1,10,19-trimethyl-16,17-didehydro-2,7-dihydro-18-oxayohimban-16-carboxylate, 2-(Dimethylamino)ethyl 11-methoxy-1,10,19alpha-trimethyl-16,17-didehydro-2,7-dihydro-18-oxayohimban-16-carboxylate, OXAYOHIMBAN-16-CARBOXYLIC ACID 2,7-DIHYDRO-16,17-DIDEHYDRO-11-METHOXY-1,10,19-TRIMETHYL-,2-(DIMETHYLAMINO)ETHYL ESTER,(19-A)-
| Molecular Formula | C27H39N3O4 |
|---|---|
| Molecular Weight | 469.29 g/mol |
| LogP | 3.02342 |
| Topological Polar Surface Area | 54.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.29407 |
| Heavy Atoms | 34 |
| Complexity | 976.86707 |
Chemical Identifiers
| CAS Number | 77349-48-5 |
|---|---|
| SMILES | C[C@H]1[C@H]2CN3CCC4C([C@@H]3C[C@@H]2C(=CO1)C(=O)OCCN(C)C)N(C5=C4C=C(C(=C5)OC)C)C |
Product Overview
2-Dimethylaminoethyl-1,10-dimethyl-2,7-dihydrotetraphyllinate (CAS 77349-48-5), with molecular formula C27H39N3O4 and molecular weight 469.29 g/mol. IUPAC: 2-(dimethylamino)ethyl (1S,15R,16S,20S)-6-methoxy-3,7,16-trimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-4(9),5,7,18-tetraene-19-carboxylate.
Chemical Property Profile of 2-Dimethylaminoethyl-1,10-dimethyl-2,7-dihydrotetraphyllinate
Property Insights of 2-Dimethylaminoethyl-1,10-dimethyl-2,7-dihydrotetraphyllinate
The XLogP value of 3.02342 indicates that 2-Dimethylaminoethyl-1,10-dimethyl-2,7-dihydrotetraphyllinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.48 Ų, 2-Dimethylaminoethyl-1,10-dimethyl-2,7-dihydrotetraphyllinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Dimethylaminoethyl-1,10-dimethyl-2,7-dihydrotetraphyllinate has 0 hydrogen bond donor(s) and 7 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 2-Dimethylaminoethyl-1,10-dimethyl-2,7-dihydrotetraphyllinate?
The CAS number of 2-Dimethylaminoethyl-1,10-dimethyl-2,7-dihydrotetraphyllinate is 77349-48-5.
What is the molecular formula of 2-Dimethylaminoethyl-1,10-dimethyl-2,7-dihydrotetraphyllinate?
The molecular formula of 2-Dimethylaminoethyl-1,10-dimethyl-2,7-dihydrotetraphyllinate is C27H39N3O4.
What is the molecular weight of 2-Dimethylaminoethyl-1,10-dimethyl-2,7-dihydrotetraphyllinate?
The molecular weight of 2-Dimethylaminoethyl-1,10-dimethyl-2,7-dihydrotetraphyllinate is 469.29 g/mol.
Where can I buy 2-Dimethylaminoethyl-1,10-dimethyl-2,7-dihydrotetraphyllinate?
You can request a quote for 2-Dimethylaminoethyl-1,10-dimethyl-2,7-dihydrotetraphyllinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Dimethylaminoethyl-1,10-dimethyl-2,7-dihydrotetraphyllinate?
Yes, KEHONG BIO provides custom synthesis services for 2-Dimethylaminoethyl-1,10-dimethyl-2,7-dihydrotetraphyllinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.