C28H29BrN3O4.Br
TL;DR: C28H29BrN3O4.Br (CAS 62113-49-9) is a chemical compound with molecular formula C28H29Br2N3O4 and molecular weight 629.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[5-(3-bromopropyl)-3-(ethoxycarbonylamino)-6-phenylphenanthridin-5-ium-8-yl]carbamate bromide
Also Known As: EINECS 263-412-1, 5-(3-Bromopropyl)-3,8-bis((ethoxycarbonyl)amino)-6-phenylphenanthridinium bromide, 3,8-Bis(ethoxycarbonylamino)-5-(3-bromopropyl)-6-phenyl-phenanthridinium Bromide, 3,8-bis-Ethoxycarbonylamino-5-(3-bromo-propyl)-6-phenyl-phenanthridinium bromide, ethyl N-[5-(3-bromopropyl)-3-(ethoxycarbonylamino)-6-phenylphenanthridin-5-ium-8-yl]carbamate;bromide
| Molecular Formula | C28H29Br2N3O4 |
|---|---|
| Molecular Weight | 629.05 g/mol |
| LogP | 3.8733 |
| Topological Polar Surface Area | 80.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 629.0525 |
| Heavy Atoms | 37 |
| Complexity | 1397.1001 |
Chemical Identifiers
| CAS Number | 62113-49-9 |
|---|---|
| SMILES | CCOC(=O)NC1=CC2=C([N+](=C3C=C(C=CC3=C2C=C1)NC(=O)OCC)CCCBr)C4=CC=CC=C4.[Br-] |
Product Overview
C28H29BrN3O4.Br (CAS 62113-49-9), with molecular formula C28H29Br2N3O4 and molecular weight 629.05 g/mol. IUPAC: ethyl N-[5-(3-bromopropyl)-3-(ethoxycarbonylamino)-6-phenylphenanthridin-5-ium-8-yl]carbamate bromide.
Chemical Property Profile of C28H29BrN3O4.Br
Property Insights of C28H29BrN3O4.Br
The XLogP value of 3.8733 indicates that C28H29BrN3O4.Br is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.54 Ų falls within the moderate polarity range, balancing permeability and solubility for C28H29BrN3O4.Br. Following Lipinski's Rule of Five, C28H29BrN3O4.Br has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C28H29BrN3O4.Br?
The CAS number of C28H29BrN3O4.Br is 62113-49-9.
What is the molecular formula of C28H29BrN3O4.Br?
The molecular formula of C28H29BrN3O4.Br is C28H29Br2N3O4.
What is the molecular weight of C28H29BrN3O4.Br?
The molecular weight of C28H29BrN3O4.Br is 629.05 g/mol.
Where can I buy C28H29BrN3O4.Br?
You can request a quote for C28H29BrN3O4.Br directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H29BrN3O4.Br?
Yes, KEHONG BIO provides custom synthesis services for C28H29BrN3O4.Br and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.