Batimastat
TL;DR: Batimastat (CAS 130372-07-5) is a chemical compound with molecular formula C23H31N3O4S2 and molecular weight 477.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R)-N-hydroxy-N'-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-(thiophen-2-ylsulfanylmethyl)butanediamide
Also Known As: batimastat, batimastatum, Batimastat (BB-94), BB94, BB94 cpd
| Molecular Formula | C23H31N3O4S2 |
|---|---|
| Molecular Weight | 477.18 g/mol |
| LogP | 3.0976 |
| Topological Polar Surface Area | 107.53 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 477.1756 |
| Heavy Atoms | 32 |
| Complexity | 859.3912 |
Chemical Identifiers
| CAS Number | 130372-07-5 |
|---|---|
| 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 |
Product Overview
Batimastat (CAS 130372-07-5), with molecular formula C23H31N3O4S2 and molecular weight 477.18 g/mol. IUPAC: (2S,3R)-N-hydroxy-N'-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-(thiophen-2-ylsulfanylmethyl)butanediamide.
Chemical Property Profile of Batimastat
Property Insights of Batimastat
The XLogP value of 3.0976 indicates that Batimastat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.53 Ų falls within the moderate polarity range, balancing permeability and solubility for Batimastat. Following Lipinski's Rule of Five, Batimastat has 4 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 Batimastat?
The CAS number of Batimastat is 130372-07-5.
What is the molecular formula of Batimastat?
The molecular formula of Batimastat is C23H31N3O4S2.
What is the molecular weight of Batimastat?
The molecular weight of Batimastat is 477.18 g/mol.
Where can I buy Batimastat?
You can request a quote for Batimastat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Batimastat?
Yes, KEHONG BIO provides custom synthesis services for Batimastat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.