![2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide structure](/static/products/3306/330663-20-2.webp)
2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide
TL;DR: 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide (CAS 330663-20-2) is a chemical compound with molecular formula C27H23N3O4S and molecular weight 485.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide
Also Known As: 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide, 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide
| Molecular Formula | C27H23N3O4S |
|---|---|
| Molecular Weight | 485.14 g/mol |
| LogP | 5.74668 |
| Topological Polar Surface Area | 96.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 485.14093 |
| Heavy Atoms | 35 |
| Complexity | 1527.3005 |
Chemical Identifiers
| CAS Number | 330663-20-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)OC)OC2=NC4=C(C5=C(S4)CCCC5)C#N |
Product Overview
2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide (CAS 330663-20-2), with molecular formula C27H23N3O4S and molecular weight 485.14 g/mol. IUPAC: 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide.
Chemical Property Profile of 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide
Property Insights of 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide
The XLogP value of 5.74668 indicates that 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide. Following Lipinski's Rule of Five, 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide?
The CAS number of 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide is 330663-20-2.
What is the molecular formula of 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide?
The molecular formula of 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide is C27H23N3O4S.
What is the molecular weight of 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide?
The molecular weight of 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide is 485.14 g/mol.
Where can I buy 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide?
You can request a quote for 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.