LY 123502
TL;DR: LY 123502 (CAS 79561-42-5) is a chemical compound with molecular formula C33H39FN6O8 and molecular weight 666.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;(2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]-[(2S)-2-amino-2-phenylacetyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
Also Known As: Tyr-ala-gly-4-F-phe-phenyl-glycinamide acetate, Tyrosine-alanine-glycine-4-F-phenylalanine-phenyl-glycinamide acetate, acetic acid;(2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]-[(2S)-2-amino-2-phenylacetyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide, L-Tyrosyl-D-alanylglycyl-4-fluoro-L-phenylalanyl-L-2-phenylglycinamide monoacetate (salt), Acetic acid--L-tyrosyl-D-alanyl-N-[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]-N-[(2S)-2-amino-2-phenylacetyl]glycinamide (1/1)
| Molecular Formula | C33H39FN6O8 |
|---|---|
| Molecular Weight | 666.28 g/mol |
| LogP | 0.2647 |
| Topological Polar Surface Area | 248.24 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 666.2813 |
| Heavy Atoms | 48 |
| Complexity | 1567.2157 |
Chemical Identifiers
| CAS Number | 79561-42-5 |
|---|---|
| SMILES | C[C@H](C(=O)NCC(=O)N(C(=O)[C@H](CC1=CC=C(C=C1)F)N)C(=O)[C@H](C2=CC=CC=C2)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)N.CC(=O)O |
Product Overview
LY 123502 (CAS 79561-42-5), with molecular formula C33H39FN6O8 and molecular weight 666.28 g/mol. IUPAC: acetic acid;(2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]-[(2S)-2-amino-2-phenylacetyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide.
Chemical Property Profile of LY 123502
Property Insights of LY 123502
The XLogP value of 0.2647 suggests moderate lipophilicity, balancing water solubility and membrane permeability for LY 123502. The TPSA of 248.24 Ų indicates high polarity, suggesting LY 123502 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, LY 123502 has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of LY 123502?
The CAS number of LY 123502 is 79561-42-5.
What is the molecular formula of LY 123502?
The molecular formula of LY 123502 is C33H39FN6O8.
What is the molecular weight of LY 123502?
The molecular weight of LY 123502 is 666.28 g/mol.
Where can I buy LY 123502?
You can request a quote for LY 123502 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LY 123502?
Yes, KEHONG BIO provides custom synthesis services for LY 123502 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.