ChemDiv1_018707
TL;DR: ChemDiv1_018707 (CAS 431925-83-6) is a chemical compound with molecular formula C19H17BrN2OS and molecular weight 400.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-(4-bromophenyl)methanone
Also Known As: ChemDiv1_018707, DivK1c_003491, CDS1_002451, (3-Amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl)(4-bromophenyl)methanone, (3-AMINO-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA(B)THIENO(3,2-E)PYRIDIN-2-YL)(4-BROMOPHENYL)METHANONE
| Molecular Formula | C19H17BrN2OS |
|---|---|
| Molecular Weight | 400.02 g/mol |
| LogP | 5.1409 |
| Topological Polar Surface Area | 55.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.0245 |
| Heavy Atoms | 24 |
| Complexity | 930.68494 |
Chemical Identifiers
| CAS Number | 431925-83-6 |
|---|---|
| SMILES | C1CCC2=CC3=C(N=C2CC1)SC(=C3N)C(=O)C4=CC=C(C=C4)Br |
Product Overview
ChemDiv1_018707 (CAS 431925-83-6), with molecular formula C19H17BrN2OS and molecular weight 400.02 g/mol. IUPAC: (6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-(4-bromophenyl)methanone.
Chemical Property Profile of ChemDiv1_018707
Property Insights of ChemDiv1_018707
The XLogP value of 5.1409 indicates that ChemDiv1_018707 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.98 Ų, ChemDiv1_018707 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_018707 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_018707?
The CAS number of ChemDiv1_018707 is 431925-83-6.
What is the molecular formula of ChemDiv1_018707?
The molecular formula of ChemDiv1_018707 is C19H17BrN2OS.
What is the molecular weight of ChemDiv1_018707?
The molecular weight of ChemDiv1_018707 is 400.02 g/mol.
Where can I buy ChemDiv1_018707?
You can request a quote for ChemDiv1_018707 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018707?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018707 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.