ChemDiv3_003294
TL;DR: ChemDiv3_003294 (CAS 1005121-34-5) is a chemical compound with molecular formula C29H30N2O3 and molecular weight 454.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dibenzyl-10-ethyl-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide
Also Known As: ChemDiv3_003294, IDI1_021204, BRD-A65142378-001-01-1, F1184-0017, N,N-dibenzyl-3-ethyl-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxamide
| Molecular Formula | C29H30N2O3 |
|---|---|
| Molecular Weight | 454.23 g/mol |
| LogP | 4.9762 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.22565 |
| Heavy Atoms | 34 |
| Complexity | 1138.7498 |
Chemical Identifiers
| CAS Number | 1005121-34-5 |
|---|---|
| SMILES | CCN1C(=O)C(C2CC1(OC3=CC=CC=C23)C)C(=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5 |
Product Overview
ChemDiv3_003294 (CAS 1005121-34-5), with molecular formula C29H30N2O3 and molecular weight 454.23 g/mol. IUPAC: N,N-dibenzyl-10-ethyl-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide.
Chemical Property Profile of ChemDiv3_003294
Property Insights of ChemDiv3_003294
The XLogP value of 4.9762 indicates that ChemDiv3_003294 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, ChemDiv3_003294 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_003294 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_003294?
The CAS number of ChemDiv3_003294 is 1005121-34-5.
What is the molecular formula of ChemDiv3_003294?
The molecular formula of ChemDiv3_003294 is C29H30N2O3.
What is the molecular weight of ChemDiv3_003294?
The molecular weight of ChemDiv3_003294 is 454.23 g/mol.
Where can I buy ChemDiv3_003294?
You can request a quote for ChemDiv3_003294 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003294?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003294 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.