1,3-Diazepin-2-one deriv.
TL;DR: 1,3-Diazepin-2-one deriv. (CAS 167826-61-1) is a chemical compound with molecular formula C41H38N2O3 and molecular weight 606.28827 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(naphthalen-2-ylmethyl)-1,3-diazepan-2-one
Also Known As: 1,3-Diazepin-2-one deriv., N-
Technical Specifications
| Molecular Formula | C41H38N2O3 |
| Molecular Weight | 606.28827 g/mol |
| XLogP | 7.8 |
| Topological Polar Surface Area (TPSA) | 64.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 606.28827 Da |
| Heavy Atoms | 46 |
| Complexity | 887.0 |
| SMILES | C1=CC=C(C=C1)CN2[C@@H]([C@@H]([C@H]([C@H](N(C2=O)CC3=CC=CC=C3)CC4=CC5=CC=CC=C5C=C4)O)O)CC6=CC7=CC=CC=C7C=C6 |
| InChIKey | AUTHLCQFZJFGMT-WESAGZJESA-N |
Chemical Property Profile of 1,3-Diazepin-2-one deriv.
Property Insights of 1,3-Diazepin-2-one deriv.
The XLogP value of 7.8 indicates that 1,3-Diazepin-2-one deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diazepin-2-one deriv.. Following Lipinski's Rule of Five, 1,3-Diazepin-2-one deriv. has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,3-Diazepin-2-one deriv.?
The CAS number of 1,3-Diazepin-2-one deriv. is 167826-61-1.
What is the molecular formula of 1,3-Diazepin-2-one deriv.?
The molecular formula of 1,3-Diazepin-2-one deriv. is C41H38N2O3.
What is the molecular weight of 1,3-Diazepin-2-one deriv.?
The molecular weight of 1,3-Diazepin-2-one deriv. is 606.28827 g/mol.
Where can I buy 1,3-Diazepin-2-one deriv.?
You can request a quote for 1,3-Diazepin-2-one deriv. directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Diazepin-2-one deriv.?
Yes, CoreyChem provides custom synthesis services for 1,3-Diazepin-2-one deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.