ChemDiv3_003114
TL;DR: ChemDiv3_003114 (CAS 400863-75-4) is a chemical compound with molecular formula C17H23N3OS and molecular weight 317.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-N,N-diethyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
Also Known As: ChemDiv3_003114, BAS 03320681, 3-amino-N,N-diethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide, AB00114738-01, BRD-K28424188-001-01-7
| Molecular Formula | C17H23N3OS |
|---|---|
| Molecular Weight | 317.16 g/mol |
| LogP | 3.6294 |
| Topological Polar Surface Area | 59.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.1562 |
| Heavy Atoms | 22 |
| Complexity | 703.48224 |
Chemical Identifiers
| CAS Number | 400863-75-4 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C2=C(S1)N=C3CCCCCC3=C2)N |
Product Overview
ChemDiv3_003114 (CAS 400863-75-4), with molecular formula C17H23N3OS and molecular weight 317.16 g/mol. IUPAC: 6-amino-N,N-diethyl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide.
Chemical Property Profile of ChemDiv3_003114
Property Insights of ChemDiv3_003114
The XLogP value of 3.6294 indicates that ChemDiv3_003114 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.22 Ų, ChemDiv3_003114 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_003114 has 1 hydrogen bond donor(s) and 4 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_003114?
The CAS number of ChemDiv3_003114 is 400863-75-4.
What is the molecular formula of ChemDiv3_003114?
The molecular formula of ChemDiv3_003114 is C17H23N3OS.
What is the molecular weight of ChemDiv3_003114?
The molecular weight of ChemDiv3_003114 is 317.16 g/mol.
Where can I buy ChemDiv3_003114?
You can request a quote for ChemDiv3_003114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003114?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.