AcLeuAsnPhe(CHOHCH2)ProIleOMe
TL;DR: AcLeuAsnPhe(CHOHCH2)ProIleOMe (CAS 127231-47-4) is a chemical compound with molecular formula C34H54N6O8 and molecular weight 674.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S,3S)-2-[[(2S)-1-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoate
Also Known As: AcLeuAsnPhe(CHOHCH2)ProIleOMe, L-Isoleucine, N-(1-(3-((N2-(N-acetyl-L-leucyl)-L-asparaginyl)amino)-2-hydroxy-4-phenylbutyl)-L-prolyl)-, methyl ester, (S-(R*,R*))-, N-Ac-L-Leu-L-Asn-[(2S,3S)-3-Amino*-2-hydroxy-4-phenylbutyl]-L-Pro-L-Ile-OMe, 2-[(1-{2-[2-(2-Acetylamino-4-methyl-pentanoylamino)-3-carbamoyl-propionylamino]-1-hydroxy-3-phenyl-propyl}-pyrrolidine-2-carbonyl)-amino]-3-methyl-pentanoic acid methyl ester, methyl (2S,3S)-2-[[(2S)-1-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoate
| Molecular Formula | C34H54N6O8 |
|---|---|
| Molecular Weight | 674.40 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 20 |
| Exact Mass | 674.4003 |
| Heavy Atoms | 48 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 127231-47-4 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)OC)NC(=O)[C@@H]1CCCN1C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)C)O |
| InChIKey | MRGMYFNMOQANPK-YYNHRMGXSA-N |
Product Overview
AcLeuAsnPhe(CHOHCH2)ProIleOMe (CAS 127231-47-4), with molecular formula C34H54N6O8 and molecular weight 674.40 g/mol. IUPAC: methyl (2S,3S)-2-[[(2S)-1-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoate.
Chemical Property Profile of AcLeuAsnPhe(CHOHCH2)ProIleOMe
Property Insights of AcLeuAsnPhe(CHOHCH2)ProIleOMe
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AcLeuAsnPhe(CHOHCH2)ProIleOMe. The TPSA of 209.0 Ų indicates high polarity, suggesting AcLeuAsnPhe(CHOHCH2)ProIleOMe may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AcLeuAsnPhe(CHOHCH2)ProIleOMe has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AcLeuAsnPhe(CHOHCH2)ProIleOMe?
The CAS number of AcLeuAsnPhe(CHOHCH2)ProIleOMe is 127231-47-4.
What is the molecular formula of AcLeuAsnPhe(CHOHCH2)ProIleOMe?
The molecular formula of AcLeuAsnPhe(CHOHCH2)ProIleOMe is C34H54N6O8.
What is the molecular weight of AcLeuAsnPhe(CHOHCH2)ProIleOMe?
The molecular weight of AcLeuAsnPhe(CHOHCH2)ProIleOMe is 674.40 g/mol.
Where can I buy AcLeuAsnPhe(CHOHCH2)ProIleOMe?
You can request a quote for AcLeuAsnPhe(CHOHCH2)ProIleOMe directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AcLeuAsnPhe(CHOHCH2)ProIleOMe?
Yes, KEHONG BIO provides custom synthesis services for AcLeuAsnPhe(CHOHCH2)ProIleOMe and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.