C28H19BrN2O5
TL;DR: C28H19BrN2O5 (CAS 1013757-28-2) is a chemical compound with molecular formula C28H19BrN2O5 and molecular weight 542.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,11R,12S,16R)-14-(1,3-benzodioxol-5-yl)-11-(4-bromobenzoyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
Also Known As: (8R,8aS,11aR,11bR)-10-(benzo[d][1,3]dioxol-5-yl)-8-(4-bromobenzoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
| Molecular Formula | C28H19BrN2O5 |
|---|---|
| Molecular Weight | 542.05 g/mol |
| LogP | 4.5761 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 542.0477 |
| Heavy Atoms | 36 |
| Complexity | 1483.5104 |
Chemical Identifiers
| CAS Number | 1013757-28-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)N3C(=O)[C@@H]4[C@H](C3=O)[C@@H](N5[C@H]4C6=CC=CC=C6C=C5)C(=O)C7=CC=C(C=C7)Br |
Product Overview
C28H19BrN2O5 (CAS 1013757-28-2), with molecular formula C28H19BrN2O5 and molecular weight 542.05 g/mol. IUPAC: (1R,11R,12S,16R)-14-(1,3-benzodioxol-5-yl)-11-(4-bromobenzoyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione.
Chemical Property Profile of C28H19BrN2O5
Property Insights of C28H19BrN2O5
The XLogP value of 4.5761 indicates that C28H19BrN2O5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.15 Ų falls within the moderate polarity range, balancing permeability and solubility for C28H19BrN2O5. Following Lipinski's Rule of Five, C28H19BrN2O5 has 0 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 C28H19BrN2O5?
The CAS number of C28H19BrN2O5 is 1013757-28-2.
What is the molecular formula of C28H19BrN2O5?
The molecular formula of C28H19BrN2O5 is C28H19BrN2O5.
What is the molecular weight of C28H19BrN2O5?
The molecular weight of C28H19BrN2O5 is 542.05 g/mol.
Where can I buy C28H19BrN2O5?
You can request a quote for C28H19BrN2O5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H19BrN2O5?
Yes, KEHONG BIO provides custom synthesis services for C28H19BrN2O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.