C29H32ClNO6
TL;DR: C29H32ClNO6 (CAS 1212127-94-0) is a chemical compound with molecular formula C29H32ClNO6 and molecular weight 525.19183 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-butyl-6-chloro-2-oxochromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate
Also Known As: (1r,4r)-4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate, (4-butyl-6-chloro-2-oxochromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate, 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl trans-4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexanecarboxylate
Technical Specifications
| Molecular Formula | C29H32ClNO6 |
| Molecular Weight | 525.19183 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 525.19183 Da |
| Heavy Atoms | 37 |
| Complexity | 817.0 |
| SMILES | CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C3CCC(CC3)CNC(=O)OCC4=CC=CC=C4 |
| InChIKey | GXCYGGKROBWKMC-UHFFFAOYSA-N |
Chemical Property Profile of C29H32ClNO6
Property Insights of C29H32ClNO6
The XLogP value of 6.4 indicates that C29H32ClNO6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for C29H32ClNO6. Following Lipinski's Rule of Five, C29H32ClNO6 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C29H32ClNO6?
The CAS number of C29H32ClNO6 is 1212127-94-0.
What is the molecular formula of C29H32ClNO6?
The molecular formula of C29H32ClNO6 is C29H32ClNO6.
What is the molecular weight of C29H32ClNO6?
The molecular weight of C29H32ClNO6 is 525.19183 g/mol.
Where can I buy C29H32ClNO6?
You can request a quote for C29H32ClNO6 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C29H32ClNO6?
Yes, CoreyChem provides custom synthesis services for C29H32ClNO6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.