C60H82N14O13.7/2C2H4O2.5/2H2O
TL;DR: C60H82N14O13.7/2C2H4O2.5/2H2O (CAS 71033-59-5) is a chemical compound with molecular formula C62H86N14O15 and molecular weight 1266.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;benzyl N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2R)-2-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-ethylpyrrolidine-2-carbonyl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamate
Also Known As: C60H82N14O13.7/2C2H4O2.5/2H2O, L-Prolinamide, N(sup 2)-((phenylmethoxy)carbonyl)-L-glutaminyl)-L-tryptophyl-L-seryl-L-tyrosyl-D-prolyl-L-Leucyl-L-arginyl-N-ethyl-, acetate, hydrate (2:7:5), Z-(Gln(sup 1)-des-His(sup 2)-D-Pro(sup 6)-des-Gly(sup 10))-LHRH ethylamide acetate hydrate, C60-H82-N14-O13.7/2C2-H4-O2.5/2H2-O, Acetic acid--N~2~-[(benzyloxy)carbonyl]-L-glutaminyl-L-tryptophyl-L-seryl-L-tyrosyl-D-prolyl-L-leucyl-N~5~-(diaminomethylidene)-N-[(2S)-1-ethylpyrrolidine-2-carbonyl]-L-ornithinamide (1/1)
| Molecular Formula | C62H86N14O15 |
|---|---|
| Molecular Weight | 1266.64 g/mol |
| LogP | -0.0558 |
| Topological Polar Surface Area | 454.59 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 31 |
| Exact Mass | 1266.6396 |
| Heavy Atoms | 91 |
| Complexity | 3171.0168 |
Chemical Identifiers
| CAS Number | 71033-59-5 |
|---|---|
| SMILES | CCN1CCC[C@H]1C(=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCC(=O)N)NC(=O)OCC6=CC=CC=C6.CC(=O)O |
Product Overview
C60H82N14O13.7/2C2H4O2.5/2H2O (CAS 71033-59-5), with molecular formula C62H86N14O15 and molecular weight 1266.64 g/mol. IUPAC: acetic acid;benzyl N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2R)-2-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-ethylpyrrolidine-2-carbonyl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamate.
Chemical Property Profile of C60H82N14O13.7/2C2H4O2.5/2H2O
Property Insights of C60H82N14O13.7/2C2H4O2.5/2H2O
The XLogP value of -0.0558 indicates that C60H82N14O13.7/2C2H4O2.5/2H2O is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 454.59 Ų indicates high polarity, suggesting C60H82N14O13.7/2C2H4O2.5/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C60H82N14O13.7/2C2H4O2.5/2H2O has 14 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C60H82N14O13.7/2C2H4O2.5/2H2O?
The CAS number of C60H82N14O13.7/2C2H4O2.5/2H2O is 71033-59-5.
What is the molecular formula of C60H82N14O13.7/2C2H4O2.5/2H2O?
The molecular formula of C60H82N14O13.7/2C2H4O2.5/2H2O is C62H86N14O15.
What is the molecular weight of C60H82N14O13.7/2C2H4O2.5/2H2O?
The molecular weight of C60H82N14O13.7/2C2H4O2.5/2H2O is 1266.64 g/mol.
Where can I buy C60H82N14O13.7/2C2H4O2.5/2H2O?
You can request a quote for C60H82N14O13.7/2C2H4O2.5/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C60H82N14O13.7/2C2H4O2.5/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C60H82N14O13.7/2C2H4O2.5/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.