J1.577.869E
TL;DR: J1.577.869E (CAS 186971-69-7) is a chemical compound with molecular formula C27H34N10O6 and molecular weight 594.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3S)-4-[2-[[4-(diaminomethylideneamino)benzoyl]amino]acetyl]-3-[3-[[4-(diaminomethylideneamino)benzoyl]amino]propyl]-2-oxopiperazin-1-yl]acetic acid
Also Known As: J1.577.869E, 2-[(3S)-4-[2-[[4-(diaminomethylideneamino)benzoyl]amino]acetyl]-3-[3-[[4-(diaminomethylideneamino)benzoyl]amino]propyl]-2-oxopiperazin-1-yl]acetic acid, (3S)-2-Oxo-3-[3-(4-guanidinobenzoylamino)propyl]-4-[[[(4-guanidinophenyl)carbonyl]amino]acetyl]piperazine-1-acetic acid, 2-[(3S)-4-{2-[(4-carbamimidamidophenyl)formamido]acetyl}-3-{3-[(4-carbamimidamidophenyl)formamido]propyl}-2-oxopiperazin-1-yl]acetic acid, 2-[4-[2-(4-Guanidinobenzamido)acetyl]-3(S)-[3-(4-guanidinobenzamido)propyl]-2-oxopiperazin-1-yl]acetic acid
| Molecular Formula | C27H34N10O6 |
|---|---|
| Molecular Weight | 594.27 g/mol |
| LogP | -1.4396 |
| Topological Polar Surface Area | 264.92 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 594.2663 |
| Heavy Atoms | 43 |
| Complexity | 1400.34 |
Chemical Identifiers
| CAS Number | 186971-69-7 |
|---|---|
| SMILES | C1CN([C@H](C(=O)N1CC(=O)O)CCCNC(=O)C2=CC=C(C=C2)N=C(N)N)C(=O)CNC(=O)C3=CC=C(C=C3)N=C(N)N |
Product Overview
J1.577.869E (CAS 186971-69-7), with molecular formula C27H34N10O6 and molecular weight 594.27 g/mol. IUPAC: 2-[(3S)-4-[2-[[4-(diaminomethylideneamino)benzoyl]amino]acetyl]-3-[3-[[4-(diaminomethylideneamino)benzoyl]amino]propyl]-2-oxopiperazin-1-yl]acetic acid.
Chemical Property Profile of J1.577.869E
Property Insights of J1.577.869E
The XLogP value of -1.4396 indicates that J1.577.869E is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 264.92 Ų indicates high polarity, suggesting J1.577.869E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.577.869E has 7 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 J1.577.869E?
The CAS number of J1.577.869E is 186971-69-7.
What is the molecular formula of J1.577.869E?
The molecular formula of J1.577.869E is C27H34N10O6.
What is the molecular weight of J1.577.869E?
The molecular weight of J1.577.869E is 594.27 g/mol.
Where can I buy J1.577.869E?
You can request a quote for J1.577.869E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.577.869E?
Yes, KEHONG BIO provides custom synthesis services for J1.577.869E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.