![N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide structure](/static/products/4382/438229-50-6.webp)
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
TL;DR: N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide (CAS 438229-50-6) is a chemical compound with molecular formula C28H31N3O5S and molecular weight 521.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
Also Known As: N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide, N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)-5-({2-nitro-4-methylphenoxy}methyl)-2-furamide, N-(3-CYANO-4,5,6,7,8,9,10,11,12,13-DECAHYDROCYCLODODECA[B]THIOPHEN-2-YL)-5-[(4-METHYL-2-NITROPHENOXY)METHYL]-2-FURAMIDE
| Molecular Formula | C28H31N3O5S |
|---|---|
| Molecular Weight | 521.20 g/mol |
| LogP | 7.4801 |
| Topological Polar Surface Area | 118.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.1984 |
| Heavy Atoms | 37 |
| Complexity | 1303.6198 |
Chemical Identifiers
| CAS Number | 438229-50-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=C(C4=C(S3)CCCCCCCCCC4)C#N)[N+](=O)[O-] |
Product Overview
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide (CAS 438229-50-6), with molecular formula C28H31N3O5S and molecular weight 521.20 g/mol. IUPAC: N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide.
Chemical Property Profile of N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
Property Insights of N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
The XLogP value of 7.4801 indicates that N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide. Following Lipinski's Rule of Five, N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-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 N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide?
The CAS number of N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide is 438229-50-6.
What is the molecular formula of N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide?
The molecular formula of N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide is C28H31N3O5S.
What is the molecular weight of N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide?
The molecular weight of N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide is 521.20 g/mol.
Where can I buy N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide?
You can request a quote for N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.