C29H34ClNO.C6H8O7.1/2H2O
TL;DR: C29H34ClNO.C6H8O7.1/2H2O (CAS 14097-32-6) is a chemical compound with molecular formula C35H42ClNO8 and molecular weight 639.2599 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[6-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: C29H34ClNO.C6H8O7.1/2H2O, C29-H34-Cl-N-O.C6-H8-O7.1/2H2-O, Triethylamine, 2-(p-(6-(p-chlorophenyl)-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)phenoxy)-, citrate, hemihydrate, 2-[4-[6-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]phenoxy]-N,N-diethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid, 2-Hydroxypropane-1,2,3-tricarboxylic acid--2-{4-[6-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]phenoxy}-N,N-diethylethan-1-amine (1/1)
Technical Specifications
| Molecular Formula | C35H42ClNO8 |
| Molecular Weight | 639.2599 g/mol |
| XLogP | 6.0641 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 639.2599 Da |
| Heavy Atoms | 45 |
| Complexity | 749.0 |
| SMILES | CCN(CC)CCOC1=CC=C(C=C1)C2C(CCCC3=CC=CC=C23)C4=CC=C(C=C4)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | KAXSIQDDTQOVSX-UHFFFAOYSA-N |
Chemical Property Profile of C29H34ClNO.C6H8O7.1/2H2O
Property Insights of C29H34ClNO.C6H8O7.1/2H2O
The XLogP value of 6.0641 indicates that C29H34ClNO.C6H8O7.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting C29H34ClNO.C6H8O7.1/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C29H34ClNO.C6H8O7.1/2H2O has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C29H34ClNO.C6H8O7.1/2H2O?
The CAS number of C29H34ClNO.C6H8O7.1/2H2O is 14097-32-6.
What is the molecular formula of C29H34ClNO.C6H8O7.1/2H2O?
The molecular formula of C29H34ClNO.C6H8O7.1/2H2O is C35H42ClNO8.
What is the molecular weight of C29H34ClNO.C6H8O7.1/2H2O?
The molecular weight of C29H34ClNO.C6H8O7.1/2H2O is 639.2599 g/mol.
Where can I buy C29H34ClNO.C6H8O7.1/2H2O?
You can request a quote for C29H34ClNO.C6H8O7.1/2H2O directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C29H34ClNO.C6H8O7.1/2H2O?
Yes, CoreyChem provides custom synthesis services for C29H34ClNO.C6H8O7.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.