CD 349
TL;DR: CD 349 (CAS 88594-08-5) is a chemical compound with molecular formula C21H24N4O12 and molecular weight 524.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
CD 349
5-O-(2-nitrooxypropyl) 3-O-(3-nitrooxypropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: CD 349, 2-(nitrooxy)propyl 3-(nitrooxy)propyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 5-O-(2-nitrooxypropyl) 3-O-(3-nitrooxypropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 2-Nitratopropyl 3-nitratopropyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(nitrooxy)propyl 3-(nitrooxy)propyl ester
| Molecular Formula | C21H24N4O12 |
|---|---|
| Molecular Weight | 524.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 524.1391 |
| Heavy Atoms | 37 |
| Complexity | 962.0 |
Chemical Identifiers
| CAS Number | 88594-08-5 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCC(C)O[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCCO[N+](=O)[O-] |
| InChIKey | QSTCLWROWBZZLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CD 349 (CAS 88594-08-5), with molecular formula C21H24N4O12 and molecular weight 524.14 g/mol. IUPAC: 5-O-(2-nitrooxypropyl) 3-O-(3-nitrooxypropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of CD 349
Property Insights of CD 349
The XLogP value of 3.8 indicates that CD 349 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 221.0 Ų indicates high polarity, suggesting CD 349 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CD 349 has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CD 349?
The CAS number of CD 349 is 88594-08-5.
What is the molecular formula of CD 349?
The molecular formula of CD 349 is C21H24N4O12.
What is the molecular weight of CD 349?
The molecular weight of CD 349 is 524.14 g/mol.
Where can I buy CD 349?
You can request a quote for CD 349 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CD 349?
Yes, KEHONG BIO provides custom synthesis services for CD 349 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.