BIM-0002749.P001
TL;DR: BIM-0002749.P001 (CAS 312937-61-4) is a chemical compound with molecular formula C26H30N4O6S and molecular weight 526.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline
Also Known As: BIM-0002749.P001, 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline
| Molecular Formula | C26H30N4O6S |
|---|---|
| Molecular Weight | 526.19 g/mol |
| LogP | 3.7775 |
| Topological Polar Surface Area | 114.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 526.1886 |
| Heavy Atoms | 37 |
| Complexity | 1342.4277 |
Chemical Identifiers
| CAS Number | 312937-61-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-])OC |
Product Overview
BIM-0002749.P001 (CAS 312937-61-4), with molecular formula C26H30N4O6S and molecular weight 526.19 g/mol. IUPAC: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline.
Chemical Property Profile of BIM-0002749.P001
Property Insights of BIM-0002749.P001
The XLogP value of 3.7775 indicates that BIM-0002749.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0002749.P001. Following Lipinski's Rule of Five, BIM-0002749.P001 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 BIM-0002749.P001?
The CAS number of BIM-0002749.P001 is 312937-61-4.
What is the molecular formula of BIM-0002749.P001?
The molecular formula of BIM-0002749.P001 is C26H30N4O6S.
What is the molecular weight of BIM-0002749.P001?
The molecular weight of BIM-0002749.P001 is 526.19 g/mol.
Where can I buy BIM-0002749.P001?
You can request a quote for BIM-0002749.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0002749.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0002749.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.