BAS 00220321
TL;DR: BAS 00220321 (CAS 303754-94-1) is a chemical compound with molecular formula C18H18Cl3N3O2S and molecular weight 445.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,2,2-trichloro-1-(morpholine-4-carbothioylamino)ethyl]naphthalene-1-carboxamide
Also Known As: BAS 00220321, N-[2,2,2-trichloro-1-(morpholine-4-carbothioylamino)ethyl]naphthalene-1-carboxamide, N-{2,2,2-trichloro-1-[(4-morpholinylcarbothioyl)amino]ethyl}-1-naphthamide, N-{2,2,2-trichloro-1-[(4-morpholinylcarbonothioyl)amino]ethyl}-1-naphthamide, Naphthalene-1-carboxylic acid {2,2,2-trichloro-1-[(morpholine-4-carbothioyl)-amino]-ethyl}-amide
| Molecular Formula | C18H18Cl3N3O2S |
|---|---|
| Molecular Weight | 445.02 g/mol |
| LogP | 3.4726 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 445.01852 |
| Heavy Atoms | 27 |
| Complexity | 832.7068 |
Chemical Identifiers
| CAS Number | 303754-94-1 |
|---|---|
| SMILES | C1COCCN1C(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC3=CC=CC=C32 |
Product Overview
BAS 00220321 (CAS 303754-94-1), with molecular formula C18H18Cl3N3O2S and molecular weight 445.02 g/mol. IUPAC: N-[2,2,2-trichloro-1-(morpholine-4-carbothioylamino)ethyl]naphthalene-1-carboxamide.
Chemical Property Profile of BAS 00220321
Property Insights of BAS 00220321
The XLogP value of 3.4726 indicates that BAS 00220321 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, BAS 00220321 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00220321 has 2 hydrogen bond donor(s) and 3 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 BAS 00220321?
The CAS number of BAS 00220321 is 303754-94-1.
What is the molecular formula of BAS 00220321?
The molecular formula of BAS 00220321 is C18H18Cl3N3O2S.
What is the molecular weight of BAS 00220321?
The molecular weight of BAS 00220321 is 445.02 g/mol.
Where can I buy BAS 00220321?
You can request a quote for BAS 00220321 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00220321?
Yes, KEHONG BIO provides custom synthesis services for BAS 00220321 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.