Kri 1177
TL;DR: Kri 1177 (CAS 105186-68-3) is a chemical compound with molecular formula C37H45N5O6 and molecular weight 655.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-3-[[3-(1H-imidazol-5-yl)-2-[[2-(naphthalen-1-ylmethyl)-4-oxo-4-(2-phenylethylamino)butanoyl]amino]propanoyl]amino]-5-methylhexanoate
Also Known As: Kri 1177, 10beta-Hydroxy ?4-Tibolone, Hexanoic acid, 2-hydroxy-3-((3-(1H-imidazol-4-yl)-2-((2-(1-naphthalenylmethyl)-1,4-dioxo-4-((2-phenylethyl)amino)butyl)amino)-1-oxopropyl)amino)-5-methyl-, methyl ester, methyl 2-hydroxy-3-[[3-(1H-imidazol-5-yl)-2-[[2-(naphthalen-1-ylmethyl)-4-oxo-4-(2-phenylethylamino)butanoyl]amino]propanoyl]amino]-5-methylhexanoate, Methyl 3-(N-(2-(1-naphthylmethyl)-3-(phenethylcarbamoyl)propionyl)histidyl)amino-2-hydroxy-5-methylhexanoate
| Molecular Formula | C37H45N5O6 |
|---|---|
| Molecular Weight | 655.34 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 18 |
| Exact Mass | 655.337 |
| Heavy Atoms | 48 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 105186-68-3 |
|---|---|
| SMILES | CC(C)CC(C(C(=O)OC)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CC=CC3=CC=CC=C32)CC(=O)NCCC4=CC=CC=C4 |
| InChIKey | UQUFRFSCUYVXBM-UHFFFAOYSA-N |
Product Overview
Kri 1177 (CAS 105186-68-3), with molecular formula C37H45N5O6 and molecular weight 655.34 g/mol. IUPAC: methyl 2-hydroxy-3-[[3-(1H-imidazol-5-yl)-2-[[2-(naphthalen-1-ylmethyl)-4-oxo-4-(2-phenylethylamino)butanoyl]amino]propanoyl]amino]-5-methylhexanoate.
Chemical Property Profile of Kri 1177
Property Insights of Kri 1177
The XLogP value of 4.5 indicates that Kri 1177 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting Kri 1177 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kri 1177 has 5 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 Kri 1177?
The CAS number of Kri 1177 is 105186-68-3.
What is the molecular formula of Kri 1177?
The molecular formula of Kri 1177 is C37H45N5O6.
What is the molecular weight of Kri 1177?
The molecular weight of Kri 1177 is 655.34 g/mol.
Where can I buy Kri 1177?
You can request a quote for Kri 1177 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kri 1177?
Yes, KEHONG BIO provides custom synthesis services for Kri 1177 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.