Estatin A
TL;DR: Estatin A (CAS 106455-06-5) is a chemical compound with molecular formula C18H25N5O5 and molecular weight 391.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[1-[4-(diaminomethylideneamino)butylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid
Also Known As: Estatin A, 3-[[1-[4-(diaminomethylideneamino)butylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid, 3-[({1-[(4-Carbamimidamidobutyl)imino]-1-hydroxy-3-phenylpropan-2-yl}imino)(hydroxy)methyl]oxirane-2-carboxylato(2-), 3-({1-[(4-carbamimidamidobutyl)carbamoyl]-2-phenylethyl}carbamoyl)oxirane-2-carboxylic acid, 3-[[[2-[[4-[(Aminoiminomethyl)amino]butyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]-2-oxiranecarboxylic acid
| Molecular Formula | C18H25N5O5 |
|---|---|
| Molecular Weight | 391.19 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 391.18558 |
| Heavy Atoms | 28 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 106455-06-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)NCCCCN=C(N)N)NC(=O)C2C(O2)C(=O)O |
| InChIKey | CDANUSUTFSNLOG-UHFFFAOYSA-N |
Product Overview
Estatin A (CAS 106455-06-5), with molecular formula C18H25N5O5 and molecular weight 391.19 g/mol. IUPAC: 3-[[1-[4-(diaminomethylideneamino)butylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid.
Chemical Property Profile of Estatin A
Property Insights of Estatin A
The XLogP value of -0.6 indicates that Estatin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 172.0 Ų indicates high polarity, suggesting Estatin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Estatin A has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Estatin A?
The CAS number of Estatin A is 106455-06-5.
What is the molecular formula of Estatin A?
The molecular formula of Estatin A is C18H25N5O5.
What is the molecular weight of Estatin A?
The molecular weight of Estatin A is 391.19 g/mol.
Where can I buy Estatin A?
You can request a quote for Estatin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estatin A?
Yes, KEHONG BIO provides custom synthesis services for Estatin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.