DAP1_026174
TL;DR: DAP1_026174 (CAS 6079-36-3) is a chemical compound with molecular formula C31H26BrNO6 and molecular weight 587.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-9-bromo-6-[4-(2-hydroxyethoxy)phenyl]-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
Also Known As: DAP1_026174, 2-benzyl-9-bromo-6-[4-(2-hydroxyethoxy)phenyl]-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone, 2-Benzyl-9-bromo-6-[4-(2-hydroxyethoxy)phenyl]-3a,4,6,11,11a,11b-hexahydro-1H-naphtho[2,3-e]isoindole-1,3,7,10(2H)-tetrone
| Molecular Formula | C31H26BrNO6 |
|---|---|
| Molecular Weight | 587.09 g/mol |
| LogP | 4.0199 |
| Topological Polar Surface Area | 100.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 587.09436 |
| Heavy Atoms | 39 |
| Complexity | 1472.1566 |
Chemical Identifiers
| CAS Number | 6079-36-3 |
|---|---|
| SMILES | C1C=C2C(CC3=C(C2C4=CC=C(C=C4)OCCO)C(=O)C=C(C3=O)Br)C5C1C(=O)N(C5=O)CC6=CC=CC=C6 |
Product Overview
DAP1_026174 (CAS 6079-36-3), with molecular formula C31H26BrNO6 and molecular weight 587.09 g/mol. IUPAC: 2-benzyl-9-bromo-6-[4-(2-hydroxyethoxy)phenyl]-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone.
Chemical Property Profile of DAP1_026174
Property Insights of DAP1_026174
The XLogP value of 4.0199 indicates that DAP1_026174 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.98 Ų falls within the moderate polarity range, balancing permeability and solubility for DAP1_026174. Following Lipinski's Rule of Five, DAP1_026174 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DAP1_026174?
The CAS number of DAP1_026174 is 6079-36-3.
What is the molecular formula of DAP1_026174?
The molecular formula of DAP1_026174 is C31H26BrNO6.
What is the molecular weight of DAP1_026174?
The molecular weight of DAP1_026174 is 587.09 g/mol.
Where can I buy DAP1_026174?
You can request a quote for DAP1_026174 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DAP1_026174?
Yes, KEHONG BIO provides custom synthesis services for DAP1_026174 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.