A3858/0163834
TL;DR: A3858/0163834 (CAS 728025-83-0) is a chemical compound with molecular formula C21H21F3N4O2S and molecular weight 450.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-6-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
Also Known As: A3858/0163834, 3-amino-6-(propan-2-yl)-N-[4-(trifluoromethoxy)phenyl]-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridine-2-carboxamide, 3-amino-6-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide, 3-amino-6-(propan-2-yl)-N-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide, 3-amino-6-isopropyl-N-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydrothieno[2,3-b]-1,6-naphthyridine-2-carboxamide
| Molecular Formula | C21H21F3N4O2S |
|---|---|
| Molecular Weight | 450.13 g/mol |
| LogP | 4.7959 |
| Topological Polar Surface Area | 80.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.13373 |
| Heavy Atoms | 31 |
| Complexity | 1126.3407 |
Chemical Identifiers
| CAS Number | 728025-83-0 |
|---|---|
| SMILES | CC(C)N1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F)N |
Product Overview
A3858/0163834 (CAS 728025-83-0), with molecular formula C21H21F3N4O2S and molecular weight 450.13 g/mol. IUPAC: 3-amino-6-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.
Chemical Property Profile of A3858/0163834
Property Insights of A3858/0163834
The XLogP value of 4.7959 indicates that A3858/0163834 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.48 Ų falls within the moderate polarity range, balancing permeability and solubility for A3858/0163834. Following Lipinski's Rule of Five, A3858/0163834 has 2 hydrogen bond donor(s) and 6 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 A3858/0163834?
The CAS number of A3858/0163834 is 728025-83-0.
What is the molecular formula of A3858/0163834?
The molecular formula of A3858/0163834 is C21H21F3N4O2S.
What is the molecular weight of A3858/0163834?
The molecular weight of A3858/0163834 is 450.13 g/mol.
Where can I buy A3858/0163834?
You can request a quote for A3858/0163834 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3858/0163834?
Yes, KEHONG BIO provides custom synthesis services for A3858/0163834 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.