Cgp 42112A
TL;DR: Cgp 42112A (CAS 127060-75-7) is a chemical compound with molecular formula C52H69N13O11 and molecular weight 1051.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-[[(2S)-5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-[[(2S)-3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
Also Known As: Cgp-42112A, Cgp 42112, Cgp 42112B, AngiotensinIIReceptorLigand, Angiotensin II Receptor Ligand
| Molecular Formula | C52H69N13O11 |
|---|---|
| Molecular Weight | 1051.52 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 368.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 30 |
| Exact Mass | 1051.5239 |
| Heavy Atoms | 76 |
| Complexity | 1930.0 |
Chemical Identifiers
| CAS Number | 127060-75-7 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCN=C(N)N)NC(=O)OCC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)C5=CN=CC=C5 |
| InChIKey | UXGNARZDONUMMK-LRMQDCNJSA-N |
Product Overview
Cgp 42112A (CAS 127060-75-7), with molecular formula C52H69N13O11 and molecular weight 1051.52 g/mol. IUPAC: (2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-[[(2S)-5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-[[(2S)-3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid.
Chemical Property Profile of Cgp 42112A
Property Insights of Cgp 42112A
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cgp 42112A. The TPSA of 368.0 Ų indicates high polarity, suggesting Cgp 42112A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cgp 42112A has 11 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cgp 42112A?
The CAS number of Cgp 42112A is 127060-75-7.
What is the molecular formula of Cgp 42112A?
The molecular formula of Cgp 42112A is C52H69N13O11.
What is the molecular weight of Cgp 42112A?
The molecular weight of Cgp 42112A is 1051.52 g/mol.
Where can I buy Cgp 42112A?
You can request a quote for Cgp 42112A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cgp 42112A?
Yes, KEHONG BIO provides custom synthesis services for Cgp 42112A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.