AP 811
TL;DR: AP 811 (CAS 124833-45-0) is a chemical compound with molecular formula C46H66N12O8 and molecular weight 914.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
AP 811
(3S)-4-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-methylbutyl]amino]pentanoyl]amino]-3-[[(2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[4-(naphthalene-2-carbonylamino)phenyl]acetyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoic acid
Also Known As: AP 811, AP811, 17-(Acetyloxy)-5,10-epoxyestran-3-one (5alpha,17beta), (3S)-4-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-methylbutyl]amino]pentanoyl]amino]-3-[[(2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[4-(naphthalene-2-carbonylamino)phenyl]acetyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoic acid, (S)-N2-((4-((2-Naphthalenylcarbonyl)amino)phenyl)acetyl)-L-arginyl-L-isoleucyl-L-alpha-aspartyl-N-(2-methylbutyl)-L-argininamide
| Molecular Formula | C46H66N12O8 |
|---|---|
| Molecular Weight | 914.51 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 341.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 27 |
| Exact Mass | 914.51263 |
| Heavy Atoms | 66 |
| Complexity | 1660.0 |
Chemical Identifiers
| CAS Number | 124833-45-0 |
|---|---|
| SMILES | CC[C@H](C)CN[C@@H](CCCN=C(N)N)C(=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2 |
| InChIKey | CWKUICQDCFQXIS-OCFLPWLCSA-N |
Product Overview
AP 811 (CAS 124833-45-0), with molecular formula C46H66N12O8 and molecular weight 914.51 g/mol. IUPAC: (3S)-4-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-methylbutyl]amino]pentanoyl]amino]-3-[[(2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[4-(naphthalene-2-carbonylamino)phenyl]acetyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoic acid.
Chemical Property Profile of AP 811
Property Insights of AP 811
The XLogP value of -0.3 indicates that AP 811 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 341.0 Ų indicates high polarity, suggesting AP 811 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AP 811 has 11 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AP 811?
The CAS number of AP 811 is 124833-45-0.
What is the molecular formula of AP 811?
The molecular formula of AP 811 is C46H66N12O8.
What is the molecular weight of AP 811?
The molecular weight of AP 811 is 914.51 g/mol.
Where can I buy AP 811?
You can request a quote for AP 811 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP 811?
Yes, KEHONG BIO provides custom synthesis services for AP 811 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.