Batimastat sodium salt
TL;DR: Batimastat sodium salt (CAS 130464-84-5) is a chemical compound with molecular formula C23H31N3NaO4S2 and molecular weight 500.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: Batimastat sodium salt, 464B845, (2S,3R)-N-hydroxy-N/'-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-(thiophen-2-ylsulfanylmethyl)butanediamide;sodium
| Molecular Formula | C23H31N3NaO4S2 |
|---|---|
| Molecular Weight | 500.17 g/mol |
| LogP | 2.7168 |
| Topological Polar Surface Area | 107.53 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 500.16537 |
| Heavy Atoms | 33 |
| Complexity | 865.85614 |
Chemical Identifiers
| CAS Number | 130464-84-5 |
|---|---|
| SMILES | CC(C)C[C@H]([C@H](CSC1=CC=CS1)C(=O)NO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC.[Na] |
Product Overview
Batimastat sodium salt (CAS 130464-84-5), with molecular formula C23H31N3NaO4S2 and molecular weight 500.17 g/mol.
Chemical Property Profile of Batimastat sodium salt
Property Insights of Batimastat sodium salt
The XLogP value of 2.7168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Batimastat sodium salt. The TPSA of 107.53 Ų falls within the moderate polarity range, balancing permeability and solubility for Batimastat sodium salt. Following Lipinski's Rule of Five, Batimastat sodium salt has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Batimastat sodium salt?
The CAS number of Batimastat sodium salt is 130464-84-5.
What is the molecular formula of Batimastat sodium salt?
The molecular formula of Batimastat sodium salt is C23H31N3NaO4S2.
What is the molecular weight of Batimastat sodium salt?
The molecular weight of Batimastat sodium salt is 500.17 g/mol.
Where can I buy Batimastat sodium salt?
You can request a quote for Batimastat sodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Batimastat sodium salt?
Yes, KEHONG BIO provides custom synthesis services for Batimastat sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.