BAS 00375462
TL;DR: BAS 00375462 (CAS 39188-99-3) is a chemical compound with molecular formula C33H32N4O12 and molecular weight 676.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethoxy-N-[3-nitro-4-[[2-nitro-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
Also Known As: BAS 00375462, 3,4,5-trimethoxy-N-[3-nitro-4-[[2-nitro-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide, N,N'-[methanediylbis(3-nitrobenzene-4,1-diyl)]bis(3,4,5-trimethoxybenzamide), N-[3-nitro-4-({2-nitro-4-[(3,4,5-trimethoxyphenyl)carbonylamino]phenyl}methyl) phenyl](3,4,5-trimethoxyphenyl)carboxamide
| Molecular Formula | C33H32N4O12 |
|---|---|
| Molecular Weight | 676.20 g/mol |
| LogP | 5.65 |
| Topological Polar Surface Area | 199.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 676.20166 |
| Heavy Atoms | 49 |
| Complexity | 1741.08 |
Chemical Identifiers
| CAS Number | 39188-99-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC(=C(C=C2)CC3=C(C=C(C=C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
BAS 00375462 (CAS 39188-99-3), with molecular formula C33H32N4O12 and molecular weight 676.20 g/mol. IUPAC: 3,4,5-trimethoxy-N-[3-nitro-4-[[2-nitro-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide.
Chemical Property Profile of BAS 00375462
Property Insights of BAS 00375462
The XLogP value of 5.65 indicates that BAS 00375462 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 199.86 Ų indicates high polarity, suggesting BAS 00375462 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00375462 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00375462?
The CAS number of BAS 00375462 is 39188-99-3.
What is the molecular formula of BAS 00375462?
The molecular formula of BAS 00375462 is C33H32N4O12.
What is the molecular weight of BAS 00375462?
The molecular weight of BAS 00375462 is 676.20 g/mol.
Where can I buy BAS 00375462?
You can request a quote for BAS 00375462 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00375462?
Yes, KEHONG BIO provides custom synthesis services for BAS 00375462 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.