Pepstatyl-arginine methyl ester
TL;DR: Pepstatyl-arginine methyl ester (CAS 70706-82-0) is a chemical compound with molecular formula C41H77N9O10 and molecular weight 855.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-5-(diaminomethylideneamino)-2-[[(3S,4S)-3-hydroxy-4-[[(2S)-2-[[(4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-1-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-1-oxobutan-2-yl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoyl]amino]pentanoate
Also Known As: Pepstatyl-arg-ome, Pepstatyl-arginine methyl ester, Pepstatin arginine methyl ester, Pepstatinyl arginine methyl ester, Pepstatin A, 5a-L-arginine-, methyl ester
| Molecular Formula | C41H77N9O10 |
|---|---|
| Molecular Weight | 855.58 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 306.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 29 |
| Exact Mass | 855.57935 |
| Heavy Atoms | 60 |
| Complexity | 1420.0 |
Chemical Identifiers
| CAS Number | 70706-82-0 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)N[C@@H](CCCN=C(N)N)C(=O)OC)O)NC(=O)CC([C@H](CC(C)C)N[C@@H](C(C)C)C(=O)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O |
| InChIKey | KDYMFVJJBFHWFB-IEXNTVKMSA-N |
Product Overview
Pepstatyl-arginine methyl ester (CAS 70706-82-0), with molecular formula C41H77N9O10 and molecular weight 855.58 g/mol. IUPAC: methyl (2S)-5-(diaminomethylideneamino)-2-[[(3S,4S)-3-hydroxy-4-[[(2S)-2-[[(4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-1-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-1-oxobutan-2-yl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoyl]amino]pentanoate.
Chemical Property Profile of Pepstatyl-arginine methyl ester
Property Insights of Pepstatyl-arginine methyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pepstatyl-arginine methyl ester. The TPSA of 306.0 Ų indicates high polarity, suggesting Pepstatyl-arginine methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pepstatyl-arginine methyl ester has 10 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pepstatyl-arginine methyl ester?
The CAS number of Pepstatyl-arginine methyl ester is 70706-82-0.
What is the molecular formula of Pepstatyl-arginine methyl ester?
The molecular formula of Pepstatyl-arginine methyl ester is C41H77N9O10.
What is the molecular weight of Pepstatyl-arginine methyl ester?
The molecular weight of Pepstatyl-arginine methyl ester is 855.58 g/mol.
Where can I buy Pepstatyl-arginine methyl ester?
You can request a quote for Pepstatyl-arginine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pepstatyl-arginine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pepstatyl-arginine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.