J1.037.274G
TL;DR: J1.037.274G (CAS 216317-77-0) is a chemical compound with molecular formula C31H42N2O6 and molecular weight 538.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl (1R,2E,4S,5R,9R,11S,12S)-1-methoxy-8,12-dimethyl-11-[(E)-3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-triene-2-carboxylate
Also Known As: J1.037.274G, (4R,4aS,5E,7R,10S,11S,12aR)-3,4,4a,7,10,11,12,12a-Octahydro-7-methoxy-1,10-dimethyl-4-isopropyl-11-[[(E)-3-(1-methyl-1H-imidazole-4-yl)propenoyl]oxy]-7,10-epoxybenzocyclodecene-6-carboxylic acid propyl ester, 7,10-Epoxybenzocyclodecene-6-carboxylic acid, 3,4,4a,7,10,11,12,12a-octahydro-7-methoxy-1,10-dimethyl-4-(1-methylethyl)-11-[[(2E)-3-(1-methyl-1H-imidazol-4-yl)-1-oxo-2-propenyl]oxy]-, propyl ester, (4R,4aS,5E,7R,10S,11S,12aR)-, propyl (1R,2E,4S,5R,9R,11S,12S)-1-methoxy-8,12-dimethyl-11-{[(2E)-3-(1-methyl-1H-imidazol-4-yl)prop-2-enoyl]oxy}-5-(propan-2-yl)-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-triene-2-carboxylate
| Molecular Formula | C31H42N2O6 |
|---|---|
| Molecular Weight | 538.30 g/mol |
| LogP | 5.1708 |
| Topological Polar Surface Area | 88.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 538.30426 |
| Heavy Atoms | 39 |
| Complexity | 1193.3499 |
Chemical Identifiers
| CAS Number | 216317-77-0 |
|---|---|
| SMILES | CCCOC(=O)/C/1=C/[C@@H]2[C@H](CC=C([C@@H]2C[C@@H]([C@@]3(C=C[C@]1(O3)OC)C)OC(=O)/C=C/C4=CN(C=N4)C)C)C(C)C |
Product Overview
J1.037.274G (CAS 216317-77-0), with molecular formula C31H42N2O6 and molecular weight 538.30 g/mol. IUPAC: propyl (1R,2E,4S,5R,9R,11S,12S)-1-methoxy-8,12-dimethyl-11-[(E)-3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-triene-2-carboxylate.
Chemical Property Profile of J1.037.274G
Property Insights of J1.037.274G
The XLogP value of 5.1708 indicates that J1.037.274G is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.88 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.037.274G. Following Lipinski's Rule of Five, J1.037.274G has 0 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 J1.037.274G?
The CAS number of J1.037.274G is 216317-77-0.
What is the molecular formula of J1.037.274G?
The molecular formula of J1.037.274G is C31H42N2O6.
What is the molecular weight of J1.037.274G?
The molecular weight of J1.037.274G is 538.30 g/mol.
Where can I buy J1.037.274G?
You can request a quote for J1.037.274G directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.037.274G?
Yes, KEHONG BIO provides custom synthesis services for J1.037.274G and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.