Estatin B
TL;DR: Estatin B (CAS 106396-24-1) is a chemical compound with molecular formula C18H25N5O6 and molecular weight 407.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[1-[4-(diaminomethylideneamino)butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]oxirane-2-carboxylic acid
Also Known As: Estatin B, HY-N14193, 3-[[1-[4-(diaminomethylideneamino)butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]oxirane-2-carboxylic acid, Oxiranecarboxylic acid, 3-(((2-((4-((aminoiminomethyl)amino)butyl)amino)-1-((4-hydroxyphenyl)methyl)-2-oxoethyl)amino)carbonyl)-, 3-({1-[(4-carbamimidamidobutyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl}carbamoyl)oxirane-2-carboxylic acid
| Molecular Formula | C18H25N5O6 |
|---|---|
| Molecular Weight | 407.18 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 407.18048 |
| Heavy Atoms | 29 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 106396-24-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C(=O)NCCCCN=C(N)N)NC(=O)C2C(O2)C(=O)O)O |
| InChIKey | IVRMXEFFYRZNCU-UHFFFAOYSA-N |
Product Overview
Estatin B (CAS 106396-24-1), with molecular formula C18H25N5O6 and molecular weight 407.18 g/mol. IUPAC: 3-[[1-[4-(diaminomethylideneamino)butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]oxirane-2-carboxylic acid.
Chemical Property Profile of Estatin B
Property Insights of Estatin B
The XLogP value of -1.0 indicates that Estatin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 193.0 Ų indicates high polarity, suggesting Estatin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Estatin B has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Estatin B?
The CAS number of Estatin B is 106396-24-1.
What is the molecular formula of Estatin B?
The molecular formula of Estatin B is C18H25N5O6.
What is the molecular weight of Estatin B?
The molecular weight of Estatin B is 407.18 g/mol.
Where can I buy Estatin B?
You can request a quote for Estatin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estatin B?
Yes, KEHONG BIO provides custom synthesis services for Estatin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.