EINECS 226-074-6
TL;DR: EINECS 226-074-6 (CAS 5262-09-9) is a chemical compound with molecular formula C35H45N5O9S and molecular weight 711.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Also Known As: methyl n-(tert-butoxycarbonyl)-l-tryptophyl-l-methionyl-l-, A-aspartyl-l-phenylalaninate, 1-Methyl N-(N-(N-(N-((tert-butoxy)carbonyl)-L-tryptophyl)-L-methionyl)-L-alpha-aspartyl)-3-phenyl-L-alaninate, (3S)-3-[(2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}propanoic acid, (3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
| Molecular Formula | C35H45N5O9S |
|---|---|
| Molecular Weight | 711.29 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 230.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 20 |
| Exact Mass | 711.2938 |
| Heavy Atoms | 50 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 5262-09-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC |
| InChIKey | IIKFSOBAQUIBGK-LJWNLINESA-N |
Product Overview
EINECS 226-074-6 (CAS 5262-09-9), with molecular formula C35H45N5O9S and molecular weight 711.29 g/mol. IUPAC: (3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of EINECS 226-074-6
Property Insights of EINECS 226-074-6
The XLogP value of 3.6 indicates that EINECS 226-074-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 230.0 Ų indicates high polarity, suggesting EINECS 226-074-6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 226-074-6 has 6 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 EINECS 226-074-6?
The CAS number of EINECS 226-074-6 is 5262-09-9.
What is the molecular formula of EINECS 226-074-6?
The molecular formula of EINECS 226-074-6 is C35H45N5O9S.
What is the molecular weight of EINECS 226-074-6?
The molecular weight of EINECS 226-074-6 is 711.29 g/mol.
Where can I buy EINECS 226-074-6?
You can request a quote for EINECS 226-074-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 226-074-6?
Yes, KEHONG BIO provides custom synthesis services for EINECS 226-074-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.