DAP1_010116
TL;DR: DAP1_010116 (CAS 6063-30-5) is a chemical compound with molecular formula C36H31BrCl2N2O8 and molecular weight 768.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(bromomethyl)-6a,9a-dichloro-2-[4-[2-(2,5-dimethoxyphenyl)ethenyl]phenyl]-6-[5-(hydroxymethyl)furan-2-yl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
Also Known As: DAP1_010116, Hydroxylamine, N,O-diacetyl-N-[p-(phenylazo)phenyl]-, 8-(Bromomethyl)-6a,9a-dichloro-2-{4-[2-(2,5-dimethoxyphenyl)ethen-1-yl]phenyl}-6-[5-(hydroxymethyl)furan-2-yl]-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone
| Molecular Formula | C36H31BrCl2N2O8 |
|---|---|
| Molecular Weight | 768.06 g/mol |
| LogP | 5.8753 |
| Topological Polar Surface Area | 126.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 768.0641 |
| Heavy Atoms | 49 |
| Complexity | 1942.3864 |
Chemical Identifiers
| CAS Number | 6063-30-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N3C(=O)C4CC=C5C(C4C3=O)CC6(C(=O)N(C(=O)C6(C5C7=CC=C(O7)CO)Cl)CBr)Cl |
Product Overview
DAP1_010116 (CAS 6063-30-5), with molecular formula C36H31BrCl2N2O8 and molecular weight 768.06 g/mol. IUPAC: 8-(bromomethyl)-6a,9a-dichloro-2-[4-[2-(2,5-dimethoxyphenyl)ethenyl]phenyl]-6-[5-(hydroxymethyl)furan-2-yl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone.
Chemical Property Profile of DAP1_010116
Property Insights of DAP1_010116
The XLogP value of 5.8753 indicates that DAP1_010116 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.59 Ų falls within the moderate polarity range, balancing permeability and solubility for DAP1_010116. Following Lipinski's Rule of Five, DAP1_010116 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DAP1_010116?
The CAS number of DAP1_010116 is 6063-30-5.
What is the molecular formula of DAP1_010116?
The molecular formula of DAP1_010116 is C36H31BrCl2N2O8.
What is the molecular weight of DAP1_010116?
The molecular weight of DAP1_010116 is 768.06 g/mol.
Where can I buy DAP1_010116?
You can request a quote for DAP1_010116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DAP1_010116?
Yes, KEHONG BIO provides custom synthesis services for DAP1_010116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.