Lolitrem B
TL;DR: Lolitrem B (CAS 81771-19-9) is a chemical compound with molecular formula C42H55NO7 and molecular weight 685.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,22S,23S,25R,26R,28S,31S,33S)-22-hydroxy-1,10,10,12,12,30,30,36-octamethyl-28-(2-methylprop-1-enyl)-11,24,27,29,32-pentaoxa-3-azadecacyclo[17.17.0.02,17.04,16.07,15.09,13.022,36.023,25.023,33.026,31]hexatriaconta-2(17),4(16),5,7(15)-tetraen-8-one
Also Known As: Lolitrem B, (1S,22S,23S,25R,26R,28S,31S,33S)-22-Hydroxy-1,10,10,12,12,30,30,36-octamethyl-28-(2-methylprop-1-enyl)-11,24,27,29,32-pentaoxa-3-azadecacyclo[17.17.0.02,17.04,16.07,15.09,13.022,36.023,25.023,33.026,31]hexatriaconta-2(17),4(16),5,7(15)-tetraen-8-one, (3S,4aR,4bR,5aS,5bS,16bS,18aS,19aS)-5b-Hydroxy-1,1,10,10,12,12,16b,16c-octamethyl-3-(2-methylprop-1-en-1-yl)-1,4a,4b,6,7,7a,9,9a,10,12,12a,16,16b,16c,17,18,18a,19a-octadecahydro-3H,5bH-[2]benzofuro[5,6-e][1,3]dioxino[5'',4'':2',3']oxireno[4',4a'][1]benzopyrano[5',6':6,7]indeno[1,2-b]indol-13(8H)-one
| Molecular Formula | C42H55NO7 |
|---|---|
| Molecular Weight | 685.40 g/mol |
| LogP | 6.8728 |
| Topological Polar Surface Area | 102.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 685.3978 |
| Heavy Atoms | 50 |
| Complexity | 1901.9204 |
Chemical Identifiers
| CAS Number | 81771-19-9 |
|---|---|
| SMILES | CC(=C[C@H]1O[C@H]2[C@@H]3[C@@]4(O3)[C@H](CCC5([C@]4(CCC6[C@@]5(C7=C(C6)C8=C(N7)C=CC9=C8CC3C(C9=O)C(OC3(C)C)(C)C)C)O)C)O[C@@H]2C(O1)(C)C)C |
Product Overview
Lolitrem B (CAS 81771-19-9), with molecular formula C42H55NO7 and molecular weight 685.40 g/mol. IUPAC: (1S,22S,23S,25R,26R,28S,31S,33S)-22-hydroxy-1,10,10,12,12,30,30,36-octamethyl-28-(2-methylprop-1-enyl)-11,24,27,29,32-pentaoxa-3-azadecacyclo[17.17.0.02,17.04,16.07,15.09,13.022,36.023,25.023,33.026,31]hexatriaconta-2(17),4(16),5,7(15)-tetraen-8-one.
Chemical Property Profile of Lolitrem B
Property Insights of Lolitrem B
The XLogP value of 6.8728 indicates that Lolitrem B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Lolitrem B. Following Lipinski's Rule of Five, Lolitrem B has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lolitrem B?
The CAS number of Lolitrem B is 81771-19-9.
What is the molecular formula of Lolitrem B?
The molecular formula of Lolitrem B is C42H55NO7.
What is the molecular weight of Lolitrem B?
The molecular weight of Lolitrem B is 685.40 g/mol.
Where can I buy Lolitrem B?
You can request a quote for Lolitrem B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lolitrem B?
Yes, KEHONG BIO provides custom synthesis services for Lolitrem B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.