DIOX1_001411
TL;DR: DIOX1_001411 (CAS 6085-55-8) is a chemical compound with molecular formula C38H35N3O5S and molecular weight 645.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-[4-(benzimidazol-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-phenyl-1,3-dioxan-2-yl]phenyl]methyl]benzenesulfonamide
Also Known As: DIOX1_001411, N-[[4-[4-(benzimidazol-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-phenyl-1,3-dioxan-2-yl]phenyl]methyl]benzenesulfonamide, N-[[4-[4-(BENZOIMIDAZOL-1-YLMETHYL)-6-[4-(HYDROXYMETHYL)PHENYL]-5-PHENYL-1,3-DIOXAN-2-YL]PHENYL]METHYL]BENZENESULFONAMIDE, N-[(4-{4-[(1H-1,3-Benzimidazol-1-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-5-phenyl-1,3-dioxan-2-yl}phenyl)methyl]benzenesulfonamide
| Molecular Formula | C38H35N3O5S |
|---|---|
| Molecular Weight | 645.23 g/mol |
| LogP | 6.6464 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 645.22974 |
| Heavy Atoms | 47 |
| Complexity | 2033.2867 |
Chemical Identifiers
| CAS Number | 6085-55-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C(OC(OC2C3=CC=C(C=C3)CO)C4=CC=C(C=C4)CNS(=O)(=O)C5=CC=CC=C5)CN6C=NC7=CC=CC=C76 |
Product Overview
DIOX1_001411 (CAS 6085-55-8), with molecular formula C38H35N3O5S and molecular weight 645.23 g/mol. IUPAC: N-[[4-[4-(benzimidazol-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-phenyl-1,3-dioxan-2-yl]phenyl]methyl]benzenesulfonamide.
Chemical Property Profile of DIOX1_001411
Property Insights of DIOX1_001411
The XLogP value of 6.6464 indicates that DIOX1_001411 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.68 Ų falls within the moderate polarity range, balancing permeability and solubility for DIOX1_001411. Following Lipinski's Rule of Five, DIOX1_001411 has 2 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 DIOX1_001411?
The CAS number of DIOX1_001411 is 6085-55-8.
What is the molecular formula of DIOX1_001411?
The molecular formula of DIOX1_001411 is C38H35N3O5S.
What is the molecular weight of DIOX1_001411?
The molecular weight of DIOX1_001411 is 645.23 g/mol.
Where can I buy DIOX1_001411?
You can request a quote for DIOX1_001411 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DIOX1_001411?
Yes, KEHONG BIO provides custom synthesis services for DIOX1_001411 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.