FK-906 HCl
TL;DR: FK-906 HCl (CAS 150679-23-5) is a chemical compound with molecular formula C40H64ClN7O7 and molecular weight 789.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[[(2S)-1-[(1-cyclohexyl-3-hydroxy-6-methylheptan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl] N-methyl-N-[2-[methyl(morpholine-4-carbonyl)amino]ethyl]carbamate;hydrochloride
Also Known As: FK-906 HCl, FK 906, 1-Cyclohexyl-3-hydroxy-6-methyl-2-(N(alpha)-methyl-N(alpha)-(2-(N-methyl-N-(2-(N-methyl-N-morpholinocarbonylamino)ethyl)aminocarbonyloxy)-3-phenylpropionyl)histidyl)aminoheptane hydrochloride, (11S)-8-Benzyl-N-(1-cyclohexyl-3-hydroxy-6-methylheptan-2-yl)-11-[(1H-imidazol-5-yl)methyl]-2,5,10-trimethyl-1-(morpholin-4-yl)-1,6,9-trioxo-7-oxa-2,5,10-triazadodecan-12-imidic acid--hydrogen chloride (1/1), [1-[[(2S)-1-[(1-cyclohexyl-3-hydroxy-6-methylheptan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl] N-methyl-N-[2-[methyl(morpholine-4-carbonyl)amino]ethyl]carbamate hydrochloride
| Molecular Formula | C40H64ClN7O7 |
|---|---|
| Molecular Weight | 789.46 g/mol |
| LogP | 4.517 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 789.45557 |
| Heavy Atoms | 55 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 150679-23-5 |
|---|---|
| SMILES | CC(C)CCC(C(CC1CCCCC1)NC(=O)[C@H](CC2=CN=CN2)N(C)C(=O)C(CC3=CC=CC=C3)OC(=O)N(C)CCN(C)C(=O)N4CCOCC4)O.Cl |
| InChIKey | MBTHCNKHNNGZGE-CWGYWMLVSA-N |
Product Overview
FK-906 HCl (CAS 150679-23-5), with molecular formula C40H64ClN7O7 and molecular weight 789.46 g/mol. IUPAC: [1-[[(2S)-1-[(1-cyclohexyl-3-hydroxy-6-methylheptan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl] N-methyl-N-[2-[methyl(morpholine-4-carbonyl)amino]ethyl]carbamate;hydrochloride.
Chemical Property Profile of FK-906 HCl
Property Insights of FK-906 HCl
The XLogP value of 4.517 indicates that FK-906 HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting FK-906 HCl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, FK-906 HCl has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of FK-906 HCl?
The CAS number of FK-906 HCl is 150679-23-5.
What is the molecular formula of FK-906 HCl?
The molecular formula of FK-906 HCl is C40H64ClN7O7.
What is the molecular weight of FK-906 HCl?
The molecular weight of FK-906 HCl is 789.46 g/mol.
Where can I buy FK-906 HCl?
You can request a quote for FK-906 HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for FK-906 HCl?
Yes, KEHONG BIO provides custom synthesis services for FK-906 HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.