1-5-b-Neoendorphin (human), 6-ester with phenylmethyl b-D-glucopyranoside
TL;DR: 1-5-b-Neoendorphin (human), 6-ester with phenylmethyl b-D-glucopyranoside (CAS 117833-71-3) is a chemical compound with molecular formula C41H53N5O12 and molecular weight 807.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methyl (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate
Also Known As: (5-Leu)enkephalin-related, [5-Leu]enkephalin-related, J1.175.288H, 1-5-b-Neoendorphin (human), 6-ester with phenylmethyl b-D-glucopyranoside, Benzyl 6-O-(Tyr-Gly-Gly-Phe-Leu-)-beta-D-glucopyranoside
| Molecular Formula | C41H53N5O12 |
|---|---|
| Molecular Weight | 807.37 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 268.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 21 |
| Exact Mass | 807.3691 |
| Heavy Atoms | 58 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 117833-71-3 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC2=CC=CC=C2)O)O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CNC(=O)CNC(=O)[C@H](CC4=CC=C(C=C4)O)N |
| InChIKey | ODBVLKRQCUWPLB-WGQNIUCJSA-N |
Product Overview
1-5-b-Neoendorphin (human), 6-ester with phenylmethyl b-D-glucopyranoside (CAS 117833-71-3), with molecular formula C41H53N5O12 and molecular weight 807.37 g/mol. IUPAC: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methyl (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate.
Chemical Property Profile of 1-5-b-Neoendorphin (human), 6-ester with phenylmethyl b-D-glucopyranoside
Property Insights of 1-5-b-Neoendorphin (human), 6-ester with phenylmethyl b-D-glucopyranoside
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-5-b-Neoendorphin (human), 6-ester with phenylmethyl b-D-glucopyranoside. The TPSA of 268.0 Ų indicates high polarity, suggesting 1-5-b-Neoendorphin (human), 6-ester with phenylmethyl b-D-glucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-5-b-Neoendorphin (human), 6-ester with phenylmethyl b-D-glucopyranoside has 9 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-5-b-Neoendorphin (human), 6-ester with phenylmethyl b-D-glucopyranoside?
The CAS number of 1-5-b-Neoendorphin (human), 6-ester with phenylmethyl b-D-glucopyranoside is 117833-71-3.
What is the molecular formula of 1-5-b-Neoendorphin (human), 6-ester with phenylmethyl b-D-glucopyranoside?
The molecular formula of 1-5-b-Neoendorphin (human), 6-ester with phenylmethyl b-D-glucopyranoside is C41H53N5O12.
What is the molecular weight of 1-5-b-Neoendorphin (human), 6-ester with phenylmethyl b-D-glucopyranoside?
The molecular weight of 1-5-b-Neoendorphin (human), 6-ester with phenylmethyl b-D-glucopyranoside is 807.37 g/mol.
Where can I buy 1-5-b-Neoendorphin (human), 6-ester with phenylmethyl b-D-glucopyranoside?
You can request a quote for 1-5-b-Neoendorphin (human), 6-ester with phenylmethyl b-D-glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-5-b-Neoendorphin (human), 6-ester with phenylmethyl b-D-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 1-5-b-Neoendorphin (human), 6-ester with phenylmethyl b-D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.