J1.931.888E
TL;DR: J1.931.888E (CAS 547767-45-3) is a chemical compound with molecular formula C20H26N2O5 and molecular weight 374.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(4R,4aS,7R,7aR,12bS)-9-hydroxy-4a-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]acetic acid
Also Known As: J1.931.888E, [(4,5alpha-Epoxy-3-hydroxy-14beta-methoxy-17-methylmorphinan-6beta-yl)amino]acetic acid, 2-{[(1S,5R,13R,14R,17S)-10-hydroxy-17-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-yl]amino}acetic acid, 2-{[(1S,5R,13R,14R,17S)-10-hydroxy-17-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-14-yl]amino}acetic acid
| Molecular Formula | C20H26N2O5 |
|---|---|
| Molecular Weight | 374.18 g/mol |
| LogP | 0.873 |
| Topological Polar Surface Area | 91.26 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.18417 |
| Heavy Atoms | 27 |
| Complexity | 813.80695 |
Chemical Identifiers
| CAS Number | 547767-45-3 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4[C@@H](CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)OC)NCC(=O)O |
Product Overview
J1.931.888E (CAS 547767-45-3), with molecular formula C20H26N2O5 and molecular weight 374.18 g/mol. IUPAC: 2-[[(4R,4aS,7R,7aR,12bS)-9-hydroxy-4a-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]acetic acid.
Chemical Property Profile of J1.931.888E
Property Insights of J1.931.888E
The XLogP value of 0.873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.931.888E. The TPSA of 91.26 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.931.888E. Following Lipinski's Rule of Five, J1.931.888E has 3 hydrogen bond donor(s) and 6 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 J1.931.888E?
The CAS number of J1.931.888E is 547767-45-3.
What is the molecular formula of J1.931.888E?
The molecular formula of J1.931.888E is C20H26N2O5.
What is the molecular weight of J1.931.888E?
The molecular weight of J1.931.888E is 374.18 g/mol.
Where can I buy J1.931.888E?
You can request a quote for J1.931.888E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.931.888E?
Yes, KEHONG BIO provides custom synthesis services for J1.931.888E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.