C29H33N3O6.ClH.1/2H2O
TL;DR: C29H33N3O6.ClH.1/2H2O (CAS 109232-81-7) is a chemical compound with molecular formula C29H34ClN3O6 and molecular weight 555.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-[2-[benzyl(methyl)amino]ethyl] 5-O-(cyclopropylmethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
Also Known As: C29H33N3O6.ClH.1/2H2O, C29-H33-N3-O6.Cl-H.1/2H2-O, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, cyclopropylmethyl2-(methyl(phenylmethyl)amino)ethyl ester, hydrochloride, hydrate (2:2:1), 2-[Benzyl(methyl)amino]ethyl cyclopropylmethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate--hydrogen chloride (1/1), 3-O-[2-[benzyl(methyl)amino]ethyl] 5-O-(cyclopropylmethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
| Molecular Formula | C29H34ClN3O6 |
|---|---|
| Molecular Weight | 555.21 g/mol |
| LogP | 4.8798 |
| Topological Polar Surface Area | 111.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 555.2136 |
| Heavy Atoms | 39 |
| Complexity | 1272.7938 |
Chemical Identifiers
| CAS Number | 109232-81-7 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCC2CC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(C)CC4=CC=CC=C4.Cl |
Product Overview
C29H33N3O6.ClH.1/2H2O (CAS 109232-81-7), with molecular formula C29H34ClN3O6 and molecular weight 555.21 g/mol. IUPAC: 3-O-[2-[benzyl(methyl)amino]ethyl] 5-O-(cyclopropylmethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride.
Chemical Property Profile of C29H33N3O6.ClH.1/2H2O
Property Insights of C29H33N3O6.ClH.1/2H2O
The XLogP value of 4.8798 indicates that C29H33N3O6.ClH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.01 Ų falls within the moderate polarity range, balancing permeability and solubility for C29H33N3O6.ClH.1/2H2O. Following Lipinski's Rule of Five, C29H33N3O6.ClH.1/2H2O 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 C29H33N3O6.ClH.1/2H2O?
The CAS number of C29H33N3O6.ClH.1/2H2O is 109232-81-7.
What is the molecular formula of C29H33N3O6.ClH.1/2H2O?
The molecular formula of C29H33N3O6.ClH.1/2H2O is C29H34ClN3O6.
What is the molecular weight of C29H33N3O6.ClH.1/2H2O?
The molecular weight of C29H33N3O6.ClH.1/2H2O is 555.21 g/mol.
Where can I buy C29H33N3O6.ClH.1/2H2O?
You can request a quote for C29H33N3O6.ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29H33N3O6.ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C29H33N3O6.ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.