BAS 00780400
TL;DR: BAS 00780400 (CAS 1294474-80-8) is a chemical compound with molecular formula C19H26N2O14 and molecular weight 506.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]amino]-5-nitrobenzoic acid
Also Known As: BAS 00780400, N-(3-carboxy-5-nitrophenyl)-4-O-hexopyranosylhexopyranosylamine, 3-(((2R,3R,4S,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)amino)-5-nitrobenzoic acid, 3-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]amino]-5-nitrobenzoic acid, 3-{[3,4-DIHYDROXY-6-(HYDROXYMETHYL)-5-{[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]AMINO}-5-NITROBENZOIC ACID
| Molecular Formula | C19H26N2O14 |
|---|---|
| Molecular Weight | 506.14 g/mol |
| LogP | -3.671 |
| Topological Polar Surface Area | 261.77 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 506.1384 |
| Heavy Atoms | 35 |
| Complexity | 881.2859 |
Chemical Identifiers
| CAS Number | 1294474-80-8 |
|---|---|
| SMILES | C1=C(C=C(C=C1NC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)[N+](=O)[O-])C(=O)O |
Product Overview
BAS 00780400 (CAS 1294474-80-8), with molecular formula C19H26N2O14 and molecular weight 506.14 g/mol. IUPAC: 3-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]amino]-5-nitrobenzoic acid.
Chemical Property Profile of BAS 00780400
Property Insights of BAS 00780400
The XLogP value of -3.671 indicates that BAS 00780400 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 261.77 Ų indicates high polarity, suggesting BAS 00780400 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00780400 has 9 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00780400?
The CAS number of BAS 00780400 is 1294474-80-8.
What is the molecular formula of BAS 00780400?
The molecular formula of BAS 00780400 is C19H26N2O14.
What is the molecular weight of BAS 00780400?
The molecular weight of BAS 00780400 is 506.14 g/mol.
Where can I buy BAS 00780400?
You can request a quote for BAS 00780400 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00780400?
Yes, KEHONG BIO provides custom synthesis services for BAS 00780400 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.