4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-9-chloro-4-(1-naphthalenyl)-
TL;DR: 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-9-chloro-4-(1-naphthalenyl)- (CAS 115091-82-2) is a chemical compound with molecular formula C23H15ClN2OS and molecular weight 402.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-9-chloro-4-naphthalen-1-yl-4,5-dihydrothiochromeno[4,3-b]pyran-3-carbonitrile
Also Known As: 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-9-chloro-4-(1-naphthalenyl)-, 2-Amino-9-chloro-4-(1-naphthalenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-9-chloro-4-(1-naphthyl)-4,5-dihydrothiochromeno[4,3-b]pyran-3-carbonitrile, 2-Amino-9-chloro-4-(naphthalen-1-yl)-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile, 2-amino-9-chloro-4-naphthalen-1-yl-4,5-dihydrothiochromeno[4,3-b]pyran-3-carbonitrile
| Molecular Formula | C23H15ClN2OS |
|---|---|
| Molecular Weight | 402.06 g/mol |
| LogP | 5.81788 |
| Topological Polar Surface Area | 59.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 402.05936 |
| Heavy Atoms | 28 |
| Complexity | 1233.576 |
Chemical Identifiers
| CAS Number | 115091-82-2 |
|---|---|
| SMILES | C1C2=C(C3=C(S1)C=CC(=C3)Cl)OC(=C(C2C4=CC=CC5=CC=CC=C54)C#N)N |
Product Overview
4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-9-chloro-4-(1-naphthalenyl)- (CAS 115091-82-2), with molecular formula C23H15ClN2OS and molecular weight 402.06 g/mol. IUPAC: 2-amino-9-chloro-4-naphthalen-1-yl-4,5-dihydrothiochromeno[4,3-b]pyran-3-carbonitrile.
Chemical Property Profile of 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-9-chloro-4-(1-naphthalenyl)-
Property Insights of 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-9-chloro-4-(1-naphthalenyl)-
The XLogP value of 5.81788 indicates that 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-9-chloro-4-(1-naphthalenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.04 Ų, 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-9-chloro-4-(1-naphthalenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-9-chloro-4-(1-naphthalenyl)- 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 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-9-chloro-4-(1-naphthalenyl)-?
The CAS number of 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-9-chloro-4-(1-naphthalenyl)- is 115091-82-2.
What is the molecular formula of 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-9-chloro-4-(1-naphthalenyl)-?
The molecular formula of 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-9-chloro-4-(1-naphthalenyl)- is C23H15ClN2OS.
What is the molecular weight of 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-9-chloro-4-(1-naphthalenyl)-?
The molecular weight of 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-9-chloro-4-(1-naphthalenyl)- is 402.06 g/mol.
Where can I buy 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-9-chloro-4-(1-naphthalenyl)-?
You can request a quote for 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-9-chloro-4-(1-naphthalenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-9-chloro-4-(1-naphthalenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-9-chloro-4-(1-naphthalenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.