J1.892.917A
TL;DR: J1.892.917A (CAS 220798-08-3) is a chemical compound with molecular formula C31H36N6O4 and molecular weight 556.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(3-carbamimidoyl-N-[2-[4-(1-ethanimidoylpiperidin-4-yl)anilino]-2-oxoethyl]anilino)methyl]phenoxy]acetic acid
Also Known As: J1.892.917A, Acetic acid,2-[3-[[[3-(aminoiminomethyl)phenyl][2-[[4-[1-(1-iminoethyl)-4-piperidinyl]phenyl]amino]-2-oxoethyl]amino]methyl]phenoxy]-,dihydrochloride, (3-{[(3-Carbamimidoyl-phenyl)-({4-[1-(1-imino-ethyl)-piperidin-4-yl]-phenylcarbamoyl}-methyl)-amino]-methyl}-phenoxy)-acetic acid, [3-[[3-Amidinophenyl[[[4-[1-(1-iminoethyl)piperidine-4-yl]anilino]carbonyl]methyl]amino]methyl]phenoxy]acetic acid, 2-(3-{[(3-carbamimidoylphenyl)({[4-(1-ethanimidoylpiperidin-4-yl)phenyl]carbamoyl}methyl)amino]methyl}phenoxy)acetic acid
| Molecular Formula | C31H36N6O4 |
|---|---|
| Molecular Weight | 556.28 g/mol |
| LogP | 4.25594 |
| Topological Polar Surface Area | 155.83 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 556.2798 |
| Heavy Atoms | 41 |
| Complexity | 1399.7268 |
Chemical Identifiers
| CAS Number | 220798-08-3 |
|---|---|
| SMILES | CC(=N)N1CCC(CC1)C2=CC=C(C=C2)NC(=O)CN(CC3=CC(=CC=C3)OCC(=O)O)C4=CC=CC(=C4)C(=N)N |
Product Overview
J1.892.917A (CAS 220798-08-3), with molecular formula C31H36N6O4 and molecular weight 556.28 g/mol. IUPAC: 2-[3-[(3-carbamimidoyl-N-[2-[4-(1-ethanimidoylpiperidin-4-yl)anilino]-2-oxoethyl]anilino)methyl]phenoxy]acetic acid.
Chemical Property Profile of J1.892.917A
Property Insights of J1.892.917A
The XLogP value of 4.25594 indicates that J1.892.917A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.83 Ų indicates high polarity, suggesting J1.892.917A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.892.917A has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J1.892.917A?
The CAS number of J1.892.917A is 220798-08-3.
What is the molecular formula of J1.892.917A?
The molecular formula of J1.892.917A is C31H36N6O4.
What is the molecular weight of J1.892.917A?
The molecular weight of J1.892.917A is 556.28 g/mol.
Where can I buy J1.892.917A?
You can request a quote for J1.892.917A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.892.917A?
Yes, KEHONG BIO provides custom synthesis services for J1.892.917A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.