![3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one structure](/static/products/6704/67046-38-2.webp)
3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one
TL;DR: 3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one (CAS 67046-38-2) is a chemical compound with molecular formula C24H16ClNO2S and molecular weight 417.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one
Also Known As: 3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one, 3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-o, 3-Chloro-4-(diphenylamino)-2H,5H-[1]benzothiopyrano[4,3-b]pyran-2-one
| Molecular Formula | C24H16ClNO2S |
|---|---|
| Molecular Weight | 417.06 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.05902 |
| Heavy Atoms | 29 |
| Complexity | 688.0 |
Chemical Identifiers
| CAS Number | 67046-38-2 |
|---|---|
| SMILES | C1C2=C(C3=CC=CC=C3S1)OC(=O)C(=C2N(C4=CC=CC=C4)C5=CC=CC=C5)Cl |
| InChIKey | KXZOOEQOIGIMBC-UHFFFAOYSA-N |
Product Overview
3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one (CAS 67046-38-2), with molecular formula C24H16ClNO2S and molecular weight 417.06 g/mol. IUPAC: 3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one.
Chemical Property Profile of 3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one
Property Insights of 3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one
The XLogP value of 5.8 indicates that 3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, 3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one has 0 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 3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one?
The CAS number of 3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one is 67046-38-2.
What is the molecular formula of 3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one?
The molecular formula of 3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one is C24H16ClNO2S.
What is the molecular weight of 3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one?
The molecular weight of 3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one is 417.06 g/mol.
Where can I buy 3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one?
You can request a quote for 3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-4-(N-phenylanilino)-5H-thiochromeno[4,3-b]pyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.