ChemDiv1_025127
TL;DR: ChemDiv1_025127 (CAS 329271-80-9) is a chemical compound with molecular formula C25H27BrN2O and molecular weight 450.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-8,10,12(19)-trien-10-yl)-4-bromobenzamide
Also Known As: ChemDiv1_025127, A0898/0042152, N-(3b,4,5,6,6a,7,9,9a,10,11,12,12a-dodecahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinolin-2-yl)-4-bromobenzamide, 4-bromo-N-(3b,4,5,6,6a,7,9,9a,10,11,12,12a-dodecahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinolin-2-yl)benzamide, N-(1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-8,10,12(19)-trien-10-yl)-4-bromobenzamide
| Molecular Formula | C25H27BrN2O |
|---|---|
| Molecular Weight | 450.13 g/mol |
| LogP | 6.3024 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 450.13068 |
| Heavy Atoms | 29 |
| Complexity | 924.2838 |
Chemical Identifiers
| CAS Number | 329271-80-9 |
|---|---|
| SMILES | C1CC2CN3CC4CCCC4C5=C3C(=CC(=C5)NC(=O)C6=CC=C(C=C6)Br)C2C1 |
Product Overview
ChemDiv1_025127 (CAS 329271-80-9), with molecular formula C25H27BrN2O and molecular weight 450.13 g/mol. IUPAC: N-(1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-8,10,12(19)-trien-10-yl)-4-bromobenzamide.
Chemical Property Profile of ChemDiv1_025127
Property Insights of ChemDiv1_025127
The XLogP value of 6.3024 indicates that ChemDiv1_025127 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, ChemDiv1_025127 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_025127 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_025127?
The CAS number of ChemDiv1_025127 is 329271-80-9.
What is the molecular formula of ChemDiv1_025127?
The molecular formula of ChemDiv1_025127 is C25H27BrN2O.
What is the molecular weight of ChemDiv1_025127?
The molecular weight of ChemDiv1_025127 is 450.13 g/mol.
Where can I buy ChemDiv1_025127?
You can request a quote for ChemDiv1_025127 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025127?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.