NCIStruc1_000993
TL;DR: NCIStruc1_000993 (CAS 500352-61-4) is a chemical compound with molecular formula C32H40N2O2 and molecular weight 484.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8-dibenzyl-5,10-ditert-butyl-2,4,7,9-tetrahydro-[1,3]oxazino[6,5-g][1,3]benzoxazine
Also Known As: NCIStruc1_000993, NCIStruc2_001170, NCI60_004153, 3,8-dibenzyl-5,10-di-tert-butyl-2,3,4,7,8,9-hexahydrobenzo[1,2-e:4,5-e']bis[1,3]oxazine, 3,8-dibenzyl-5,10-ditert-butyl-2,4,7,9-tetrahydro-[1,3]oxazino[6,5-g][1,3]benzoxazine
| Molecular Formula | C32H40N2O2 |
|---|---|
| Molecular Weight | 484.31 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 24.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 484.309 |
| Heavy Atoms | 36 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 500352-61-4 |
|---|---|
| SMILES | CC(C)(C)C1=C2CN(COC2=C(C3=C1OCN(C3)CC4=CC=CC=C4)C(C)(C)C)CC5=CC=CC=C5 |
| InChIKey | AXKSETRDCLGEDQ-UHFFFAOYSA-N |
Product Overview
NCIStruc1_000993 (CAS 500352-61-4), with molecular formula C32H40N2O2 and molecular weight 484.31 g/mol. IUPAC: 3,8-dibenzyl-5,10-ditert-butyl-2,4,7,9-tetrahydro-[1,3]oxazino[6,5-g][1,3]benzoxazine.
Chemical Property Profile of NCIStruc1_000993
Property Insights of NCIStruc1_000993
The XLogP value of 7.6 indicates that NCIStruc1_000993 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.9 Ų, NCIStruc1_000993 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIStruc1_000993 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCIStruc1_000993?
The CAS number of NCIStruc1_000993 is 500352-61-4.
What is the molecular formula of NCIStruc1_000993?
The molecular formula of NCIStruc1_000993 is C32H40N2O2.
What is the molecular weight of NCIStruc1_000993?
The molecular weight of NCIStruc1_000993 is 484.31 g/mol.
Where can I buy NCIStruc1_000993?
You can request a quote for NCIStruc1_000993 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIStruc1_000993?
Yes, KEHONG BIO provides custom synthesis services for NCIStruc1_000993 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.