DIOX2_002874
TL;DR: DIOX2_002874 (CAS 6088-92-2) is a chemical compound with molecular formula C44H55N3O6 and molecular weight 721.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-3-[[3-[3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methyl]urea
Also Known As: DIOX2_002874, N-[(3'-{4-[(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl}[1,1'-biphenyl]-3-yl)methyl]-N'-tricyclo[3.3.1.1~3,7~]decan-1-ylurea, 1-(1-adamantyl)-3-[[3-[3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methyl]urea, N-(Adamantan-1-yl)-N'-[(3'-{4-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl}[1,1'-biphenyl]-3-yl)methyl]urea
| Molecular Formula | C44H55N3O6 |
|---|---|
| Molecular Weight | 721.41 g/mol |
| LogP | 7.2442 |
| Topological Polar Surface Area | 101.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 721.40906 |
| Heavy Atoms | 53 |
| Complexity | 1712.4282 |
Chemical Identifiers
| CAS Number | 6088-92-2 |
|---|---|
| SMILES | CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)NC56CC7CC(C5)CC(C7)C6)CN8CCC9(CC8)OCCO9 |
Product Overview
DIOX2_002874 (CAS 6088-92-2), with molecular formula C44H55N3O6 and molecular weight 721.41 g/mol. IUPAC: 1-(1-adamantyl)-3-[[3-[3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methyl]urea.
Chemical Property Profile of DIOX2_002874
Property Insights of DIOX2_002874
The XLogP value of 7.2442 indicates that DIOX2_002874 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.52 Ų falls within the moderate polarity range, balancing permeability and solubility for DIOX2_002874. Following Lipinski's Rule of Five, DIOX2_002874 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DIOX2_002874?
The CAS number of DIOX2_002874 is 6088-92-2.
What is the molecular formula of DIOX2_002874?
The molecular formula of DIOX2_002874 is C44H55N3O6.
What is the molecular weight of DIOX2_002874?
The molecular weight of DIOX2_002874 is 721.41 g/mol.
Where can I buy DIOX2_002874?
You can request a quote for DIOX2_002874 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DIOX2_002874?
Yes, KEHONG BIO provides custom synthesis services for DIOX2_002874 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.