RefChem:350766
TL;DR: RefChem:350766 (CAS 145594-25-8) is a chemical compound with molecular formula C49H70ClN7O11 and molecular weight 967.4822 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]-4-methyl-2-[[6-oxo-6-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)hexyl]amino]pentanamide;hydrochloride
Also Known As: L-Leucinamide, L-tyrosyl-D-alanylglycyl-L-phenylalanyl-N-(6-(2,3,5,6,8,9,11,12-octahydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)-6-oxohexyl)-, monohydrochloride, N-(Tyrosyl-D-alanylglycylphenylalanylylleucyl-6-aminohexanoyl)-benzoaza-15-crown-5 HCl, (2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]-4-methyl-2-[[6-oxo-6-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)hexyl]amino]pentanamide;hydrochloride, (2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]-4-methyl-2-[[6-oxo-6-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)hexyl]amino]pentanamide hydrochloride, L-Tyrosyl-D-alanylglycyl-N-[(2S)-4-methyl-2-{[6-(2,3,5,6,8,9,11,12-octahydro-7H-1,4,10,13,7-benzotetraoxazacyclopentadecin-7-yl)-6-oxohexyl]amino}pentanoyl]-L-phenylalaninamide--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C49H70ClN7O11 |
| Molecular Weight | 967.4822 g/mol |
| XLogP | 2.5729 |
| Topological Polar Surface Area (TPSA) | 249.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 21 |
| Exact Mass | 967.4822 Da |
| Heavy Atoms | 68 |
| Complexity | 1470.0 |
| SMILES | C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC(=O)[C@H](CC(C)C)NCCCCCC(=O)N2CCOCCOC3=CC=CC=C3OCCOCC2)NC(=O)[C@H](CC4=CC=C(C=C4)O)N.Cl |
| InChIKey | RERHSZDNBNQPNR-RKCLFCSSSA-N |
Chemical Property Profile of RefChem:350766
Property Insights of RefChem:350766
The XLogP value of 2.5729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:350766. The TPSA of 249.0 Ų indicates high polarity, suggesting RefChem:350766 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:350766 has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:350766?
The CAS number of RefChem:350766 is 145594-25-8.
What is the molecular formula of RefChem:350766?
The molecular formula of RefChem:350766 is C49H70ClN7O11.
What is the molecular weight of RefChem:350766?
The molecular weight of RefChem:350766 is 967.4822 g/mol.
Where can I buy RefChem:350766?
You can request a quote for RefChem:350766 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:350766?
Yes, CoreyChem provides custom synthesis services for RefChem:350766 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.