Iri 695
TL;DR: Iri 695 (CAS 31061-79-7) is a chemical compound with molecular formula C27H45N7O13 and molecular weight 675.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-1-[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-(2-methylpropyl)amino]-4-amino-4-oxobutanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: Iri 695, n2-acetyl-n5-(diaminomethylidene)-l-ornithyl-l-prolyl-n2-(2-methylpropyl)-l-asparagine 2-hydroxypropane-1,2,3-tricarboxylate(1:1), (2S)-2-[[(2S)-1-[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-(2-methylpropyl)amino]-4-amino-4-oxobutanoic acid; 2-hydroxypropane-1,2,3-tricarboxylic acid, N~2~-(1-Hydroxyethylidene)-L-arginyl-L-prolyl-4-imino-N-(2-methylpropyl)-L-homoserine--2-hydroxypropane-1,2,3-tricarboxylic acid (1/1), N~2~-(1-Hydroxyethylidene)arginylprolyl-4-imino-N-(2-methylpropyl)homoserine--2-hydroxypropane-1,2,3-tricarboxylic acid (1/1)
| Molecular Formula | C27H45N7O13 |
|---|---|
| Molecular Weight | 675.31 g/mol |
| LogP | -2.8996 |
| Topological Polar Surface Area | 347.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 18 |
| Exact Mass | 675.30756 |
| Heavy Atoms | 47 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 31061-79-7 |
|---|---|
| SMILES | CC(C)CN([C@@H](CC(=O)N)C(=O)O)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | QYFSXEMQMRSJQU-NLQWVURJSA-N |
Product Overview
Iri 695 (CAS 31061-79-7), with molecular formula C27H45N7O13 and molecular weight 675.31 g/mol. IUPAC: (2S)-2-[[(2S)-1-[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-(2-methylpropyl)amino]-4-amino-4-oxobutanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of Iri 695
Property Insights of Iri 695
The XLogP value of -2.8996 indicates that Iri 695 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 347.0 Ų indicates high polarity, suggesting Iri 695 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iri 695 has 9 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Iri 695?
The CAS number of Iri 695 is 31061-79-7.
What is the molecular formula of Iri 695?
The molecular formula of Iri 695 is C27H45N7O13.
What is the molecular weight of Iri 695?
The molecular weight of Iri 695 is 675.31 g/mol.
Where can I buy Iri 695?
You can request a quote for Iri 695 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iri 695?
Yes, KEHONG BIO provides custom synthesis services for Iri 695 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.