RefChem:349872
TL;DR: RefChem:349872 (CAS 82802-95-7) is a chemical compound with molecular formula C28H29BrN2O5 and molecular weight 552.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-bromophenyl)-2,3,4,12,13-pentamethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine
Also Known As: 6-(4-bromophenyl)-2,3,4,12,13-pentamethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine, Isoquino(2,1-d)(1,4)benzodiazepine, 7,9,10,14b-tetrahydro-6-(p-bromophenyl)-2,3,4,12,13-pentamethoxy-, ISOQUINO(2,1-d)(1,4)BENZODIAZEPINE, 7,9,10,14b-TETRAHYDRO-6-(p-BROMOPHENYL)-2,3,, 7,9,10,14b-Tetrahydro-6-(p-bromophenyl)-2,3,4,12,13-pentamethoxyisoquino[2,1-d][1,4]benzodiazepine, 9-(4-bromophenyl)-4,5,6,16,17-pentamethoxy-8,11-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-2(7),3,5,8,14(19),15,17-heptaene
| Molecular Formula | C28H29BrN2O5 |
|---|---|
| Molecular Weight | 552.13 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 552.126 |
| Heavy Atoms | 36 |
| Complexity | 762.0 |
Chemical Identifiers
| CAS Number | 82802-95-7 |
|---|---|
| SMILES | COC1=C(C=C2C3C4=CC(=C(C(=C4N=C(CN3CCC2=C1)C5=CC=C(C=C5)Br)OC)OC)OC)OC |
| InChIKey | CEGUZFHZPIISMF-UHFFFAOYSA-N |
Product Overview
RefChem:349872 (CAS 82802-95-7), with molecular formula C28H29BrN2O5 and molecular weight 552.13 g/mol. IUPAC: 6-(4-bromophenyl)-2,3,4,12,13-pentamethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine.
Chemical Property Profile of RefChem:349872
Property Insights of RefChem:349872
The XLogP value of 5.2 indicates that RefChem:349872 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:349872. Following Lipinski's Rule of Five, RefChem:349872 has 0 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 RefChem:349872?
The CAS number of RefChem:349872 is 82802-95-7.
What is the molecular formula of RefChem:349872?
The molecular formula of RefChem:349872 is C28H29BrN2O5.
What is the molecular weight of RefChem:349872?
The molecular weight of RefChem:349872 is 552.13 g/mol.
Where can I buy RefChem:349872?
You can request a quote for RefChem:349872 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349872?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.