Mjj8RH7Z3D
TL;DR: Mjj8RH7Z3D (CAS 193752-41-9) is a chemical compound with molecular formula C43H64FN5O10 and molecular weight 829.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,5S,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-5-fluoro-9-methoxy-1,5,7,9,11,13-hexamethyl-15-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone
Also Known As: (1R,2R,4R,6R,7R,8R,10S,13R,14S)-7-((2S,3R,4S,6R)-4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL)OXY-13-ETHYL-10-FLUORO-6-METHOXY-2,4,6,8,10,14-HEXAMETHYL-17-(4-(4-(3-PYRIDYL)IMIDAZOL-1-YL)BUTYL)-12,15-DIOXA-17-AZABICYCLO(12.3.0)HEPTADECANE-3,9,11,16-TETRONE, (1R,2R,4R,6R,7R,8R,10S,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-10-fluoro-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone, (3AS,4R,7S,9R,10R,11R,13R,15R,15AR)-4-ETHYL-7-FLUOROOCTAHYDRO-11-METHOXY-3A,7,9,11,13,15-HEXAMETHYL-1-(4-(4-(3-PYRIDINYL)-1H-IMIDAZOL-1-YL)BUTYL)-10-((3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-.BETA.-D-XYLO-HEXOPYRANOSYL)OXY)-2H-OXACYCLOTETRADECINO(4,3-D)OXAZOLE-2,6,8,14(1H,7H,9H)-TETRONE, 11-Deoxy-3-des(hexopyranosyloxy)-2-fluoro-11-[4-[4-(3-pyridinyl)-1H-imidazol-1-yl]butylamino]-6-O-methyl-3-oxoerythromycin A 11-N,12-O-cyclic carbamate, 2H-OXACYCLOTETRADECINO(4,3-D)OXAZOLE-2,6,8,14(1H,7H,9H)-TETRONE, 4-ETHYL-7-FLUOROOCTAHYDRO-11-METHOXY-3A,7,9,11,13,15-HEXAMETHYL-1-(4-(4-(3-PYRIDINYL)-1H-IMIDAZOL-1-YL)BUTYL)-10-((3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-.BETA.-D-XYLO-HEXOPYRANOSYL)OXY)-, (3AS,4R,7S,9R,10R,11R,13R,15R,15AR)-
| Molecular Formula | C43H64FN5O10 |
|---|---|
| Molecular Weight | 829.46 g/mol |
| LogP | 5.0213 |
| Topological Polar Surface Area | 171.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 829.46375 |
| Heavy Atoms | 59 |
| Complexity | 1794.1738 |
Chemical Identifiers
| CAS Number | 193752-41-9 |
|---|---|
| SMILES | CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=CC=C5)C |
Product Overview
Mjj8RH7Z3D (CAS 193752-41-9), with molecular formula C43H64FN5O10 and molecular weight 829.46 g/mol. IUPAC: (1S,2R,5S,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-5-fluoro-9-methoxy-1,5,7,9,11,13-hexamethyl-15-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone.
Chemical Property Profile of Mjj8RH7Z3D
Property Insights of Mjj8RH7Z3D
The XLogP value of 5.0213 indicates that Mjj8RH7Z3D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.85 Ų indicates high polarity, suggesting Mjj8RH7Z3D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mjj8RH7Z3D has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mjj8RH7Z3D?
The CAS number of Mjj8RH7Z3D is 193752-41-9.
What is the molecular formula of Mjj8RH7Z3D?
The molecular formula of Mjj8RH7Z3D is C43H64FN5O10.
What is the molecular weight of Mjj8RH7Z3D?
The molecular weight of Mjj8RH7Z3D is 829.46 g/mol.
Where can I buy Mjj8RH7Z3D?
You can request a quote for Mjj8RH7Z3D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mjj8RH7Z3D?
Yes, KEHONG BIO provides custom synthesis services for Mjj8RH7Z3D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.