Isooxodesmosine
TL;DR: Isooxodesmosine (CAS 147044-50-6) is a chemical compound with molecular formula C23H37N5O7 and molecular weight 495.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-[7-amino-2-(4-amino-4-carboxybutyl)-3-(3-amino-3-carboxypropyl)-4-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]hexanoic acid
Also Known As: Isooxodesmosine, J1.120.829K, 2-Amino-6-[[2-(4-amino-4-carboxybutyl)-3-(3-amino-3-carboxypropyl)-4-oxo-7-amino-4,5,6,7-tetrahydro-1H-1-pyrindine]-1-yl]hexanoic acid, 2-amino-6-[7-amino-2-(4-amino-4-carboxybutyl)-3-(3-amino-3-carboxypropyl)-4-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]hexanoic acid, 2-amino-6-[7-amino-3-(3-amino-3-carboxypropyl)-2-(4-amino-4-carboxybutyl)-4-oxo-1H,4H,5H,6H,7H-cyclopenta[b]pyridin-1-yl]hexanoic acid
| Molecular Formula | C23H37N5O7 |
|---|---|
| Molecular Weight | 495.27 g/mol |
| LogP | -8.5 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 495.2693 |
| Heavy Atoms | 35 |
| Complexity | 901.0 |
Chemical Identifiers
| CAS Number | 147044-50-6 |
|---|---|
| SMILES | C1CC2=C(C1N)N(C(=C(C2=O)CCC(C(=O)O)N)CCCC(C(=O)O)N)CCCCC(C(=O)O)N |
| InChIKey | DYRNNGQPCZUVRQ-UHFFFAOYSA-N |
Product Overview
Isooxodesmosine (CAS 147044-50-6), with molecular formula C23H37N5O7 and molecular weight 495.27 g/mol. IUPAC: 2-amino-6-[7-amino-2-(4-amino-4-carboxybutyl)-3-(3-amino-3-carboxypropyl)-4-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]hexanoic acid.
Chemical Property Profile of Isooxodesmosine
Property Insights of Isooxodesmosine
The XLogP value of -8.5 indicates that Isooxodesmosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 236.0 Ų indicates high polarity, suggesting Isooxodesmosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isooxodesmosine has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isooxodesmosine?
The CAS number of Isooxodesmosine is 147044-50-6.
What is the molecular formula of Isooxodesmosine?
The molecular formula of Isooxodesmosine is C23H37N5O7.
What is the molecular weight of Isooxodesmosine?
The molecular weight of Isooxodesmosine is 495.27 g/mol.
Where can I buy Isooxodesmosine?
You can request a quote for Isooxodesmosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isooxodesmosine?
Yes, KEHONG BIO provides custom synthesis services for Isooxodesmosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.