ChemDiv1_026721
TL;DR: ChemDiv1_026721 (CAS 1212190-75-4) is a chemical compound with molecular formula C18H17Cl2N3O2 and molecular weight 377.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,9S)-N-(3,4-dichlorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
Also Known As: ChemDiv1_026721, DivK1c_004465, CDS1_003425, (1S,5S)-N-(3,4-dichlorophenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide, N~11~-(3,4-DICHLOROPHENYL)-6-OXO-7,11-DIAZATRICYCLO[7.3.1.0~2,7~]TRIDECA-2,4-DIENE-11-CARBOXAMIDE
| Molecular Formula | C18H17Cl2N3O2 |
|---|---|
| Molecular Weight | 377.07 g/mol |
| LogP | 3.8063 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 377.0698 |
| Heavy Atoms | 25 |
| Complexity | 896.1302 |
Chemical Identifiers
| CAS Number | 1212190-75-4 |
|---|---|
| SMILES | C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=O)NC4=CC(=C(C=C4)Cl)Cl |
Product Overview
ChemDiv1_026721 (CAS 1212190-75-4), with molecular formula C18H17Cl2N3O2 and molecular weight 377.07 g/mol. IUPAC: (1S,9S)-N-(3,4-dichlorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.
Chemical Property Profile of ChemDiv1_026721
Property Insights of ChemDiv1_026721
The XLogP value of 3.8063 indicates that ChemDiv1_026721 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.34 Ų, ChemDiv1_026721 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_026721 has 1 hydrogen bond donor(s) and 2 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 ChemDiv1_026721?
The CAS number of ChemDiv1_026721 is 1212190-75-4.
What is the molecular formula of ChemDiv1_026721?
The molecular formula of ChemDiv1_026721 is C18H17Cl2N3O2.
What is the molecular weight of ChemDiv1_026721?
The molecular weight of ChemDiv1_026721 is 377.07 g/mol.
Where can I buy ChemDiv1_026721?
You can request a quote for ChemDiv1_026721 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_026721?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_026721 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.