J1.988.847I
TL;DR: J1.988.847I (CAS 207118-71-6) is a chemical compound with molecular formula C27H25N3O5 and molecular weight 471.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[1-[4-(4-cyanophenyl)phenyl]pyrrol-3-yl]-4-[[(3S)-4,4-dimethyl-2-oxooxolan-3-yl]amino]-4-oxobutanoic acid
Also Known As: J1.988.847I, (3S)-3-(1-{4'-cyano-[1,1'-biphenyl]-4-yl}-1H-pyrrol-3-yl)-3-{[(3S)-4,4-dimethyl-2-oxooxolan-3-yl]carbamoyl}propanoic acid, (S)-3-(1-(4'-Cyano-[1,1'-biphenyl]-4-yl)-1H-pyrrol-3-yl)-4-(((S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl)amino)-4-oxobutanoic acid, (S)-4-Oxo-4-[[(S)-2-oxo-4,4-dimethyltetrahydrofuran-3-yl]amino]-3-[1-(4 -cyano-1,1 -biphenyl-4-yl)-1H-pyrrole-3-yl]butanoic acid, 3(S)-[1-(4'-cyanobiphenyl-4-yl)-1H-pyrrol-3-yl]-N-(4, 4-dimethyl-2-oxo-tetrahydrofuran-3(S)-yl)succinamic acid
| Molecular Formula | C27H25N3O5 |
|---|---|
| Molecular Weight | 471.18 g/mol |
| LogP | 3.64208 |
| Topological Polar Surface Area | 121.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.1794 |
| Heavy Atoms | 35 |
| Complexity | 1299.8347 |
Chemical Identifiers
| CAS Number | 207118-71-6 |
|---|---|
| SMILES | CC1(COC(=O)[C@H]1NC(=O)[C@@H](CC(=O)O)C2=CN(C=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N)C |
Product Overview
J1.988.847I (CAS 207118-71-6), with molecular formula C27H25N3O5 and molecular weight 471.18 g/mol. IUPAC: (3S)-3-[1-[4-(4-cyanophenyl)phenyl]pyrrol-3-yl]-4-[[(3S)-4,4-dimethyl-2-oxooxolan-3-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of J1.988.847I
Property Insights of J1.988.847I
The XLogP value of 3.64208 indicates that J1.988.847I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.42 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.988.847I. Following Lipinski's Rule of Five, J1.988.847I has 2 hydrogen bond donor(s) and 5 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 J1.988.847I?
The CAS number of J1.988.847I is 207118-71-6.
What is the molecular formula of J1.988.847I?
The molecular formula of J1.988.847I is C27H25N3O5.
What is the molecular weight of J1.988.847I?
The molecular weight of J1.988.847I is 471.18 g/mol.
Where can I buy J1.988.847I?
You can request a quote for J1.988.847I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.988.847I?
Yes, KEHONG BIO provides custom synthesis services for J1.988.847I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.