CTK3E8967
TL;DR: CTK3E8967 (CAS 87500-74-1) is a chemical compound with molecular formula C13H19N5O9S2 and molecular weight 453.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-2-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-(sulfoamino)butanoic acid
Also Known As: 2-[[(2-amino-1,3-thiazol-4-yl)-[[(1S,2S)-1-carboxy-2-(sulfoamino)propyl]carbamoyl]methylidene]amino]oxy-2-methyl-propanoic acid
| Molecular Formula | C13H19N5O9S2 |
|---|---|
| Molecular Weight | 453.06 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 267.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 453.0624 |
| Heavy Atoms | 29 |
| Complexity | 780.0 |
Chemical Identifiers
| CAS Number | 87500-74-1 |
|---|---|
| SMILES | C[C@@H]([C@@H](C(=O)O)NC(=O)C(=NOC(C)(C)C(=O)O)C1=CSC(=N1)N)NS(=O)(=O)O |
| InChIKey | IBLNMEMSULYOOK-FSPLSTOPSA-N |
Product Overview
CTK3E8967 (CAS 87500-74-1), with molecular formula C13H19N5O9S2 and molecular weight 453.06 g/mol. IUPAC: (2S,3S)-2-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-(sulfoamino)butanoic acid.
Chemical Property Profile of CTK3E8967
Property Insights of CTK3E8967
The XLogP value of -0.5 indicates that CTK3E8967 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 267.0 Ų indicates high polarity, suggesting CTK3E8967 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK3E8967 has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK3E8967?
The CAS number of CTK3E8967 is 87500-74-1.
What is the molecular formula of CTK3E8967?
The molecular formula of CTK3E8967 is C13H19N5O9S2.
What is the molecular weight of CTK3E8967?
The molecular weight of CTK3E8967 is 453.06 g/mol.
Where can I buy CTK3E8967?
You can request a quote for CTK3E8967 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3E8967?
Yes, KEHONG BIO provides custom synthesis services for CTK3E8967 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.