DIOX2_001649
TL;DR: DIOX2_001649 (CAS 6087-75-8) is a chemical compound with molecular formula C34H36N6O7S and molecular weight 672.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[1-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]methyl]-2,5-dioxopyrrolidin-3-yl]carbamate
Also Known As: DIOX2_001649, 4,7-Dihydroxy-cumarin-3-carbonsaeure, Benzyl (1-(4-(4-(4-(hydroxymethyl)phenyl)-5-methyl-6-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-1,3-dioxan-2-yl)benzyl)-2,5-dioxopyrrolidin-3-yl)carbamate, Benzyl (1-{[4-(4-[4-(hydroxymethyl)phenyl]-5-methyl-6-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1,3-dioxan-2-yl)phenyl]methyl}-2,5-dioxopyrrolidin-3-yl)carbamate, benzyl N-[1-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]methyl]-2,5-dioxopyrrolidin-3-yl]carbamate
| Molecular Formula | C34H36N6O7S |
|---|---|
| Molecular Weight | 672.24 g/mol |
| LogP | 3.84 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 672.23663 |
| Heavy Atoms | 48 |
| Complexity | 1720.0211 |
Chemical Identifiers
| CAS Number | 6087-75-8 |
|---|---|
| SMILES | CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CN4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CSC6=NN=NN6C |
Product Overview
DIOX2_001649 (CAS 6087-75-8), with molecular formula C34H36N6O7S and molecular weight 672.24 g/mol. IUPAC: benzyl N-[1-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]methyl]-2,5-dioxopyrrolidin-3-yl]carbamate.
Chemical Property Profile of DIOX2_001649
Property Insights of DIOX2_001649
The XLogP value of 3.84 indicates that DIOX2_001649 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting DIOX2_001649 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DIOX2_001649 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DIOX2_001649?
The CAS number of DIOX2_001649 is 6087-75-8.
What is the molecular formula of DIOX2_001649?
The molecular formula of DIOX2_001649 is C34H36N6O7S.
What is the molecular weight of DIOX2_001649?
The molecular weight of DIOX2_001649 is 672.24 g/mol.
Where can I buy DIOX2_001649?
You can request a quote for DIOX2_001649 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DIOX2_001649?
Yes, KEHONG BIO provides custom synthesis services for DIOX2_001649 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.