CCR1 antagonist 10
TL;DR: CCR1 antagonist 10 (CAS 1010731-97-1) is a chemical compound with molecular formula C30H31ClN2O4 and molecular weight 518.19727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(11E)-11-[3-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]propylidene]-5H-[1]benzoxepino[3,4-b]pyridine-9-carboxylic acid
Also Known As: CCR1 antagonist 10, MLN 3897, (S)-5-(3-(4-(4-Chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl)propylidene)-5,11-dihydrobenzo[6,7]oxepino[3,4-b]pyridine-7-carboxylic acid, (11E)-11-[3-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]propylidene]-5H-[1]benzoxepino[3,4-b]pyridine-9-carboxylic acid, T28072
Technical Specifications
| Molecular Formula | C30H31ClN2O4 |
| Molecular Weight | 518.19727 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 82.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 518.19727 Da |
| Heavy Atoms | 37 |
| Complexity | 841.0 |
| SMILES | CC1(CN(CC[C@@]1(C2=CC=C(C=C2)Cl)O)CC/C=C/3\C4=C(COC5=C3C=C(C=C5)C(=O)O)N=CC=C4)C |
| InChIKey | NVBMQDQKIKYLDW-WXTRKPKDSA-N |
Chemical Property Profile of CCR1 antagonist 10
Property Insights of CCR1 antagonist 10
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CCR1 antagonist 10. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for CCR1 antagonist 10. Following Lipinski's Rule of Five, CCR1 antagonist 10 has 2 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 CCR1 antagonist 10?
The CAS number of CCR1 antagonist 10 is 1010731-97-1.
What is the molecular formula of CCR1 antagonist 10?
The molecular formula of CCR1 antagonist 10 is C30H31ClN2O4.
What is the molecular weight of CCR1 antagonist 10?
The molecular weight of CCR1 antagonist 10 is 518.19727 g/mol.
Where can I buy CCR1 antagonist 10?
You can request a quote for CCR1 antagonist 10 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for CCR1 antagonist 10?
Yes, CoreyChem provides custom synthesis services for CCR1 antagonist 10 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.