N0001-003721
TL;DR: N0001-003721 (CAS 1043415-48-0) is a chemical compound with molecular formula C31H35NO16 and molecular weight 677.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-dihydroxy-6-(4-nitrophenoxy)-5-(3,4,5-triacetyloxy-6-methyloxan-2-yl)oxyoxan-2-yl]methyl benzoate
Also Known As: N0001-003721, 4-Nitrophenyl 2-O-(2,3,4-tri-O-acetyl-b-L-fucopyranosyl)-6-O-benzoyl-a-D-galactopyranoside, [3,4-dihydroxy-6-(4-nitrophenoxy)-5-(3,4,5-triacetyloxy-6-methyloxan-2-yl)oxyoxan-2-yl]methyl benzoate
| Molecular Formula | C31H35NO16 |
|---|---|
| Molecular Weight | 677.20 g/mol |
| LogP | 1.2024 |
| Topological Polar Surface Area | 225.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 11 |
| Exact Mass | 677.19556 |
| Heavy Atoms | 48 |
| Complexity | 1452.1915 |
Chemical Identifiers
| CAS Number | 1043415-48-0 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC=C(C=C3)[N+](=O)[O-])COC(=O)C4=CC=CC=C4)O)O)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
N0001-003721 (CAS 1043415-48-0), with molecular formula C31H35NO16 and molecular weight 677.20 g/mol. IUPAC: [3,4-dihydroxy-6-(4-nitrophenoxy)-5-(3,4,5-triacetyloxy-6-methyloxan-2-yl)oxyoxan-2-yl]methyl benzoate.
Chemical Property Profile of N0001-003721
Property Insights of N0001-003721
The XLogP value of 1.2024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N0001-003721. The TPSA of 225.72 Ų indicates high polarity, suggesting N0001-003721 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N0001-003721 has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N0001-003721?
The CAS number of N0001-003721 is 1043415-48-0.
What is the molecular formula of N0001-003721?
The molecular formula of N0001-003721 is C31H35NO16.
What is the molecular weight of N0001-003721?
The molecular weight of N0001-003721 is 677.20 g/mol.
Where can I buy N0001-003721?
You can request a quote for N0001-003721 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N0001-003721?
Yes, KEHONG BIO provides custom synthesis services for N0001-003721 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.