巴替马他
TL;DR: 巴替马他 (CAS 130370-60-4) 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.
巴替马他
N-hydroxy-N'-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-(thiophen-2-ylsulfanylmethyl)butanediamide
Also Known As: batimastat, BB94, (2S,3R)-N-hydroxy-N'-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-(thiophen-2-ylsulfanylmethyl)butanediamide, BB-94; (2R,3S)-N4-Hydroxy-N1-[(1S)-2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl]-2-(2-methylpropyl)-3-[(2-thienylthio)methyl]butanediamide, N-hydroxy-N'-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-(thiophen-2-ylsulfanylmethyl)butanediamide
| Molecular Formula | C23H31N3O4S2 |
|---|---|
| Molecular Weight | 477.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 477.1756 |
| Heavy Atoms | 32 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 130370-60-4 |
|---|---|
| SMILES | CC(C)CC(C(CSC1=CC=CS1)C(=O)NO)C(=O)NC(CC2=CC=CC=C2)C(=O)NC |
| InChIKey | XFILPEOLDIKJHX-UHFFFAOYSA-N |
Product Overview
巴替马他 (CAS 130370-60-4), with molecular formula C23H31N3O4S2 and molecular weight 477.18 g/mol. IUPAC: N-hydroxy-N'-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-(thiophen-2-ylsulfanylmethyl)butanediamide.
Chemical Property Profile of 巴替马他
Property Insights of 巴替马他
The XLogP value of 3.5 indicates that 巴替马他 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting 巴替马他 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 巴替马他 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 巴替马他?
The CAS number of 巴替马他 is 130370-60-4.
What is the molecular formula of 巴替马他?
The molecular formula of 巴替马他 is C23H31N3O4S2.
What is the molecular weight of 巴替马他?
The molecular weight of 巴替马他 is 477.18 g/mol.
Where can I buy 巴替马他?
You can request a quote for 巴替马他 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 巴替马他?
Yes, KEHONG BIO provides custom synthesis services for 巴替马他 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.