图巴星
TL;DR: 图巴星 (CAS 537049-40-4) is a chemical compound with molecular formula C41H43N3O7S and molecular weight 721.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
图巴星
N-[4-[4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-N'-hydroxyoctanediamide
Also Known As: Tubacin, J1.902.036C, N-[4-[(2R,4R,6S)-4-[[(4,5-Diphenyl-2-oxazolyl)thio]methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-N'-hydroxyoctanediamide, N-[4-[4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-N'-hydroxyoctanediamide, N -Hydroxy-N-[4-[4-(4,5-diphenyloxazole-2-ylthiomethyl)-6-(4-hydroxymethylphenyl)-1,3-dioxane-2-yl]phenyl]octanediamide
| Molecular Formula | C41H43N3O7S |
|---|---|
| Molecular Weight | 721.28 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 721.28217 |
| Heavy Atoms | 52 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 537049-40-4 |
|---|---|
| SMILES | C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6 |
| InChIKey | BHUZLJOUHMBZQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
图巴星 (CAS 537049-40-4), with molecular formula C41H43N3O7S and molecular weight 721.28 g/mol. IUPAC: N-[4-[4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-N'-hydroxyoctanediamide.
Chemical Property Profile of 图巴星
Property Insights of 图巴星
The XLogP value of 6.3 indicates that 图巴星 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 168.0 Ų indicates high polarity, suggesting 图巴星 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 图巴星 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 图巴星?
The CAS number of 图巴星 is 537049-40-4.
What is the molecular formula of 图巴星?
The molecular formula of 图巴星 is C41H43N3O7S.
What is the molecular weight of 图巴星?
The molecular weight of 图巴星 is 721.28 g/mol.
Where can I buy 图巴星?
You can request a quote for 图巴星 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 图巴星?
Yes, KEHONG BIO provides custom synthesis services for 图巴星 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.