NCI60_000267
TL;DR: NCI60_000267 (CAS 284682-04-8) is a chemical compound with molecular formula C16H14Br4O4 and molecular weight 585.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dibromo-3,6-dimethylbenzene-1,4-diol;2,5-dibromo-3,6-dimethylcyclohexa-2,5-diene-1,4-dione
Also Known As: NCI60_000267, 2,5-Dibromo-3,6-dimethyl-1,4-benzoquinone, 2,5-dibromo-3,6-dimethylbenzo-1,4-quinone compound with 2,5-dibromo-3,6-dimethyl-1,4-benzenediol(1:1), 2,5-dibromo-3,6-dimethylbenzene-1,4-diol; 2,5-dibromo-3,6-dimethylcyclohexa-2,5-diene-1,4-dione, 2,5-dibromo-3,6-dimethylbenzo-1,4-quinone compound with 2,5-dibromo-3,6-dimethyl-1,4-benzenediol (1:1)
| Molecular Formula | C16H14Br4O4 |
|---|---|
| Molecular Weight | 585.76 g/mol |
| LogP | 5.71564 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 585.7626 |
| Heavy Atoms | 24 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 284682-04-8 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1Br)O)C)Br)O.CC1=C(C(=O)C(=C(C1=O)Br)C)Br |
| InChIKey | QPUPISPNAHNDHB-UHFFFAOYSA-N |
Product Overview
NCI60_000267 (CAS 284682-04-8), with molecular formula C16H14Br4O4 and molecular weight 585.76 g/mol. IUPAC: 2,5-dibromo-3,6-dimethylbenzene-1,4-diol;2,5-dibromo-3,6-dimethylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of NCI60_000267
Property Insights of NCI60_000267
The XLogP value of 5.71564 indicates that NCI60_000267 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_000267. Following Lipinski's Rule of Five, NCI60_000267 has 2 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 NCI60_000267?
The CAS number of NCI60_000267 is 284682-04-8.
What is the molecular formula of NCI60_000267?
The molecular formula of NCI60_000267 is C16H14Br4O4.
What is the molecular weight of NCI60_000267?
The molecular weight of NCI60_000267 is 585.76 g/mol.
Where can I buy NCI60_000267?
You can request a quote for NCI60_000267 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_000267?
Yes, KEHONG BIO provides custom synthesis services for NCI60_000267 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.