seglitide
TL;DR: seglitide (CAS 81377-02-8) is a chemical compound with molecular formula C44H56N8O7 and molecular weight 808.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-6-amino-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-(methylideneamino)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]hexanamide
Also Known As: seglitide, Seglitidum [Latin], Seglitide [INN], Seglitida [Spanish], (2S)-6-amino-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-(methylideneamino)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]hexanamide
| Molecular Formula | C44H56N8O7 |
|---|---|
| Molecular Weight | 808.43 g/mol |
| LogP | 2.3984 |
| Topological Polar Surface Area | 236.97 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 23 |
| Exact Mass | 808.4272 |
| Heavy Atoms | 59 |
| Complexity | 2035.3544 |
Chemical Identifiers
| CAS Number | 81377-02-8 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC4=CC=CC=C4)C=O)N=C |
Product Overview
seglitide (CAS 81377-02-8), with molecular formula C44H56N8O7 and molecular weight 808.43 g/mol. IUPAC: (2S)-6-amino-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-(methylideneamino)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]hexanamide.
Chemical Property Profile of seglitide
Property Insights of seglitide
The XLogP value of 2.3984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for seglitide. The TPSA of 236.97 Ų indicates high polarity, suggesting seglitide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, seglitide has 8 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 seglitide?
The CAS number of seglitide is 81377-02-8.
What is the molecular formula of seglitide?
The molecular formula of seglitide is C44H56N8O7.
What is the molecular weight of seglitide?
The molecular weight of seglitide is 808.43 g/mol.
Where can I buy seglitide?
You can request a quote for seglitide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for seglitide?
Yes, KEHONG BIO provides custom synthesis services for seglitide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.