4H-(1)Benzothiopyrano(3,4-d)isoxazole-3-carboxamide, N-(2-(diethylamino)ethyl)-
TL;DR: 4H-(1)Benzothiopyrano(3,4-d)isoxazole-3-carboxamide, N-(2-(diethylamino)ethyl)- (CAS 69099-66-7) is a chemical compound with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(diethylamino)ethyl]-9H-thiochromeno[4,3-d][1,2]oxazole-1-carboxamide
Also Known As: 4H-(1)BENZOTHIOPYRANO(3,4-d)ISOXAZOLE-3-CARBOXAMIDE, N-(2-(DIETHYLAMINO)ETHYL)-, N-(2-(Diethylamino)ethyl)-4H-(1)benzothiopyrano(3,4-d)isoxazole-3-carboxamide, N-(2-diethylaminoethyl)-9H-thiochromeno[4,3-d][1,2]oxazole-1-carboxamide, N-[2-(Diethylamino)ethyl]-9H-[1]benzothiopyrano[4,3-d][1,2]oxazole-1-carboxamide, BRN 1026301
| Molecular Formula | C17H21N3O2S |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.13544 |
| Heavy Atoms | 23 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 69099-66-7 |
|---|---|
| SMILES | CCN(CC)CCNC(=O)C1=NOC2=CSC3=CC=CCC3=C21 |
| InChIKey | USMOIVJPVDAWKY-UHFFFAOYSA-N |
Product Overview
4H-(1)Benzothiopyrano(3,4-d)isoxazole-3-carboxamide, N-(2-(diethylamino)ethyl)- (CAS 69099-66-7), with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol. IUPAC: N-[2-(diethylamino)ethyl]-9H-thiochromeno[4,3-d][1,2]oxazole-1-carboxamide.
Chemical Property Profile of 4H-(1)Benzothiopyrano(3,4-d)isoxazole-3-carboxamide, N-(2-(diethylamino)ethyl)-
Property Insights of 4H-(1)Benzothiopyrano(3,4-d)isoxazole-3-carboxamide, N-(2-(diethylamino)ethyl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-(1)Benzothiopyrano(3,4-d)isoxazole-3-carboxamide, N-(2-(diethylamino)ethyl)-. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-(1)Benzothiopyrano(3,4-d)isoxazole-3-carboxamide, N-(2-(diethylamino)ethyl)-. Following Lipinski's Rule of Five, 4H-(1)Benzothiopyrano(3,4-d)isoxazole-3-carboxamide, N-(2-(diethylamino)ethyl)- has 1 hydrogen bond donor(s) and 5 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 4H-(1)Benzothiopyrano(3,4-d)isoxazole-3-carboxamide, N-(2-(diethylamino)ethyl)-?
The CAS number of 4H-(1)Benzothiopyrano(3,4-d)isoxazole-3-carboxamide, N-(2-(diethylamino)ethyl)- is 69099-66-7.
What is the molecular formula of 4H-(1)Benzothiopyrano(3,4-d)isoxazole-3-carboxamide, N-(2-(diethylamino)ethyl)-?
The molecular formula of 4H-(1)Benzothiopyrano(3,4-d)isoxazole-3-carboxamide, N-(2-(diethylamino)ethyl)- is C17H21N3O2S.
What is the molecular weight of 4H-(1)Benzothiopyrano(3,4-d)isoxazole-3-carboxamide, N-(2-(diethylamino)ethyl)-?
The molecular weight of 4H-(1)Benzothiopyrano(3,4-d)isoxazole-3-carboxamide, N-(2-(diethylamino)ethyl)- is 331.14 g/mol.
Where can I buy 4H-(1)Benzothiopyrano(3,4-d)isoxazole-3-carboxamide, N-(2-(diethylamino)ethyl)-?
You can request a quote for 4H-(1)Benzothiopyrano(3,4-d)isoxazole-3-carboxamide, N-(2-(diethylamino)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-(1)Benzothiopyrano(3,4-d)isoxazole-3-carboxamide, N-(2-(diethylamino)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-(1)Benzothiopyrano(3,4-d)isoxazole-3-carboxamide, N-(2-(diethylamino)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.