ChemDiv3_005249
TL;DR: ChemDiv3_005249 (CAS 446826-74-0) is a chemical compound with molecular formula C21H21ClN2O2S and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
Also Known As: ChemDiv3_005249, IDI1_023159, F1118-0158, N-(5-(3-chlorobenzyl)thiazol-2-yl)-3-(5-(2-methylcyclopropyl)furan-2-yl)propanamide, N-{5-[(3-CHLOROPHENYL)METHYL]-1,3-THIAZOL-2-YL}-3-[5-(2-METHYLCYCLOPROPYL)FURAN-2-YL]PROPANAMIDE
| Molecular Formula | C21H21ClN2O2S |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 5.675 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.10123 |
| Heavy Atoms | 27 |
| Complexity | 949.072 |
Chemical Identifiers
| CAS Number | 446826-74-0 |
|---|---|
| SMILES | CC1CC1C2=CC=C(O2)CCC(=O)NC3=NC=C(S3)CC4=CC(=CC=C4)Cl |
Product Overview
ChemDiv3_005249 (CAS 446826-74-0), with molecular formula C21H21ClN2O2S and molecular weight 400.10 g/mol. IUPAC: N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide.
Chemical Property Profile of ChemDiv3_005249
Property Insights of ChemDiv3_005249
The XLogP value of 5.675 indicates that ChemDiv3_005249 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.13 Ų, ChemDiv3_005249 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_005249 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 ChemDiv3_005249?
The CAS number of ChemDiv3_005249 is 446826-74-0.
What is the molecular formula of ChemDiv3_005249?
The molecular formula of ChemDiv3_005249 is C21H21ClN2O2S.
What is the molecular weight of ChemDiv3_005249?
The molecular weight of ChemDiv3_005249 is 400.10 g/mol.
Where can I buy ChemDiv3_005249?
You can request a quote for ChemDiv3_005249 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005249?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005249 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.