DIOX2_013699
TL;DR: DIOX2_013699 (CAS 6093-65-8) is a chemical compound with molecular formula C26H29N3O6S2 and molecular weight 543.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-dioxan-2-yl]anilino]-5-oxopentanoic acid
Also Known As: DIOX2_013699, 5-[3-(4-[4-(Hydroxymethyl)phenyl]-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,3-dioxan-2-yl)anilino]-5-oxopentanoic acid, 5-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-dioxan-2-yl]anilino]-5-oxopentanoic acid
| Molecular Formula | C26H29N3O6S2 |
|---|---|
| Molecular Weight | 543.15 g/mol |
| LogP | 4.86992 |
| Topological Polar Surface Area | 130.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 543.1498 |
| Heavy Atoms | 37 |
| Complexity | 1203.0325 |
Chemical Identifiers
| CAS Number | 6093-65-8 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC2CC(OC(O2)C3=CC(=CC=C3)NC(=O)CCCC(=O)O)C4=CC=C(C=C4)CO |
Product Overview
DIOX2_013699 (CAS 6093-65-8), with molecular formula C26H29N3O6S2 and molecular weight 543.15 g/mol. IUPAC: 5-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-dioxan-2-yl]anilino]-5-oxopentanoic acid.
Chemical Property Profile of DIOX2_013699
Property Insights of DIOX2_013699
The XLogP value of 4.86992 indicates that DIOX2_013699 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.87 Ų falls within the moderate polarity range, balancing permeability and solubility for DIOX2_013699. Following Lipinski's Rule of Five, DIOX2_013699 has 3 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 DIOX2_013699?
The CAS number of DIOX2_013699 is 6093-65-8.
What is the molecular formula of DIOX2_013699?
The molecular formula of DIOX2_013699 is C26H29N3O6S2.
What is the molecular weight of DIOX2_013699?
The molecular weight of DIOX2_013699 is 543.15 g/mol.
Where can I buy DIOX2_013699?
You can request a quote for DIOX2_013699 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DIOX2_013699?
Yes, KEHONG BIO provides custom synthesis services for DIOX2_013699 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.