NCI60_034779
TL;DR: NCI60_034779 (CAS 98778-72-4) is a chemical compound with molecular formula C24H29BrN2O7 and molecular weight 536.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3-(3-bromo-4-hydroxyphenyl)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
Also Known As: NCI60_034779, Methyl N-(tert-butoxycarbonyl)-L-tyrosyl-3-bromo-L-tyrosinate, L-Tyrosine, 3-bromo-N-[N-[(1,1-dimethylethoxy)carbonyl]-L-tyrosyl]-, methyl ester, methyl (2S)-3-(3-bromo-4-hydroxyphenyl)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate, methyl(2s)-3-(3-bromo-4-hydroxy-phenyl)-2-[[(2s)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
| Molecular Formula | C24H29BrN2O7 |
|---|---|
| Molecular Weight | 536.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 536.1158 |
| Heavy Atoms | 34 |
| Complexity | 691.0 |
Chemical Identifiers
| CAS Number | 98778-72-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC(=C(C=C2)O)Br)C(=O)OC |
| InChIKey | LLPRWYROJYMXJJ-OALUTQOASA-N |
Product Overview
NCI60_034779 (CAS 98778-72-4), with molecular formula C24H29BrN2O7 and molecular weight 536.12 g/mol. IUPAC: methyl (2S)-3-(3-bromo-4-hydroxyphenyl)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate.
Chemical Property Profile of NCI60_034779
Property Insights of NCI60_034779
The XLogP value of 3.5 indicates that NCI60_034779 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_034779. Following Lipinski's Rule of Five, NCI60_034779 has 4 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 NCI60_034779?
The CAS number of NCI60_034779 is 98778-72-4.
What is the molecular formula of NCI60_034779?
The molecular formula of NCI60_034779 is C24H29BrN2O7.
What is the molecular weight of NCI60_034779?
The molecular weight of NCI60_034779 is 536.12 g/mol.
Where can I buy NCI60_034779?
You can request a quote for NCI60_034779 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_034779?
Yes, KEHONG BIO provides custom synthesis services for NCI60_034779 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.