弹性蛋白酶抑素
TL;DR: 弹性蛋白酶抑素 (CAS 51798-45-9) is a chemical compound with molecular formula C21H36N8O7 and molecular weight 512.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
弹性蛋白酶抑素
2-[[2-[[5-amino-1,5-dioxo-1-(1-oxopropan-2-ylamino)pentan-2-yl]amino]-1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
Also Known As: elastatinal, Tofacitinib, SMP2_000210, 2-[[2-[[5-amino-1,5-dioxo-1-(1-oxopropan-2-ylamino)pentan-2-yl]amino]-1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid, 9-(3-amino-3-oxopropyl)-6-(2-amino-3,4,5,6-tetrahydropyrimidin-4-yl)-12-methyl-2-(2-methylpropyl)-4,7,10,13-tetraoxo-3,5,8,11-tetraazatridecan-1-oic acid(non-preferred name)
| Molecular Formula | C21H36N8O7 |
|---|---|
| Molecular Weight | 512.27 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 247.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 512.2707 |
| Heavy Atoms | 36 |
| Complexity | 863.0 |
Chemical Identifiers
| CAS Number | 51798-45-9 |
|---|---|
| SMILES | CC(C)CC(C(=O)O)NC(=O)NC(C1CCN=C(N1)N)C(=O)NC(CCC(=O)N)C(=O)NC(C)C=O |
| InChIKey | IJWCGVPEDDQUDE-UHFFFAOYSA-N |
Product Overview
弹性蛋白酶抑素 (CAS 51798-45-9), with molecular formula C21H36N8O7 and molecular weight 512.27 g/mol. IUPAC: 2-[[2-[[5-amino-1,5-dioxo-1-(1-oxopropan-2-ylamino)pentan-2-yl]amino]-1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid.
Chemical Property Profile of 弹性蛋白酶抑素
Property Insights of 弹性蛋白酶抑素
The XLogP value of -2.6 indicates that 弹性蛋白酶抑素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 247.0 Ų indicates high polarity, suggesting 弹性蛋白酶抑素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 弹性蛋白酶抑素 has 8 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 弹性蛋白酶抑素?
The CAS number of 弹性蛋白酶抑素 is 51798-45-9.
What is the molecular formula of 弹性蛋白酶抑素?
The molecular formula of 弹性蛋白酶抑素 is C21H36N8O7.
What is the molecular weight of 弹性蛋白酶抑素?
The molecular weight of 弹性蛋白酶抑素 is 512.27 g/mol.
Where can I buy 弹性蛋白酶抑素?
You can request a quote for 弹性蛋白酶抑素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 弹性蛋白酶抑素?
Yes, KEHONG BIO provides custom synthesis services for 弹性蛋白酶抑素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.