角蒿特灵酯碱
TL;DR: 角蒿特灵酯碱 (CAS 129748-10-3) is a chemical compound with molecular formula C42H58N2O8 and molecular weight 718.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
角蒿特灵酯碱
bis[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl] 2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylate
Also Known As: Incarvillateine, 7-epi-incarvilline, (-)-Incarvillateine, J1.184.517G, bis[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl] 2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylate
| Molecular Formula | C42H58N2O8 |
|---|---|
| Molecular Weight | 718.42 g/mol |
| LogP | 5.7594 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 718.4193 |
| Heavy Atoms | 52 |
| Complexity | 1522.003 |
Chemical Identifiers
| CAS Number | 129748-10-3 |
|---|---|
| SMILES | C[C@H]1CN(C[C@@H]2[C@H]1C[C@H]([C@H]2C)OC(=O)C3C(C(C3C4=CC(=C(C=C4)O)OC)C(=O)O[C@@H]5C[C@H]6[C@H](CN(C[C@H]6[C@@H]5C)C)C)C7=CC(=C(C=C7)O)OC)C |
Product Overview
角蒿特灵酯碱 (CAS 129748-10-3), with molecular formula C42H58N2O8 and molecular weight 718.42 g/mol. IUPAC: bis[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl] 2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylate.
Chemical Property Profile of 角蒿特灵酯碱
Property Insights of 角蒿特灵酯碱
The XLogP value of 5.7594 indicates that 角蒿特灵酯碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 角蒿特灵酯碱. Following Lipinski's Rule of Five, 角蒿特灵酯碱 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 角蒿特灵酯碱?
The CAS number of 角蒿特灵酯碱 is 129748-10-3.
What is the molecular formula of 角蒿特灵酯碱?
The molecular formula of 角蒿特灵酯碱 is C42H58N2O8.
What is the molecular weight of 角蒿特灵酯碱?
The molecular weight of 角蒿特灵酯碱 is 718.42 g/mol.
Where can I buy 角蒿特灵酯碱?
You can request a quote for 角蒿特灵酯碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 角蒿特灵酯碱?
Yes, KEHONG BIO provides custom synthesis services for 角蒿特灵酯碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.