Niltubacin
TL;DR: Niltubacin (CAS 560102-50-3) is a chemical compound with molecular formula C41H42N2O7S and molecular weight 706.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-[(2R,4R,6S)-4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]anilino]-8-oxooctanoic acid
Also Known As: Probes1_000174, Probes2_000141, DIOX-H_003550, DIOX-H_007150, 8-[4-[(2R,4R,6S)-4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]anilino]-8-oxooctanoic acid
| Molecular Formula | C41H42N2O7S |
|---|---|
| Molecular Weight | 706.27 g/mol |
| LogP | 9.2023 |
| Topological Polar Surface Area | 131.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 706.2713 |
| Heavy Atoms | 51 |
| Complexity | 1790.2356 |
Chemical Identifiers
| CAS Number | 560102-50-3 |
|---|---|
| SMILES | C1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)O)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6 |
Product Overview
Niltubacin (CAS 560102-50-3), with molecular formula C41H42N2O7S and molecular weight 706.27 g/mol. IUPAC: 8-[4-[(2R,4R,6S)-4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]anilino]-8-oxooctanoic acid.
Chemical Property Profile of Niltubacin
Property Insights of Niltubacin
The XLogP value of 9.2023 indicates that Niltubacin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Niltubacin. Following Lipinski's Rule of Five, Niltubacin has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Niltubacin?
The CAS number of Niltubacin is 560102-50-3.
What is the molecular formula of Niltubacin?
The molecular formula of Niltubacin is C41H42N2O7S.
What is the molecular weight of Niltubacin?
The molecular weight of Niltubacin is 706.27 g/mol.
Where can I buy Niltubacin?
You can request a quote for Niltubacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Niltubacin?
Yes, KEHONG BIO provides custom synthesis services for Niltubacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.