![ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate structure](/static/products/4382/438236-98-7.webp)
ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate
TL;DR: ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate (CAS 438236-98-7) is a chemical compound with molecular formula C19H21Br2NO3S2 and molecular weight 532.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate
Also Known As: ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate, ethyl 2-{[(4,5-dibromothiophen-2-yl)carbonyl]amino}-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate, ethyl 2-(4,5-dibromothiophene-2-carboxamido)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate, ethyl 2-[(4,5-dibromo-2-thienyl)carbonylamino]-4,5,6,7,8,9,10-heptahydrocyclon ona[2,1-b]thiophene-3-carboxylate, ethyl 2-{[(4,5-dibromo-2-thienyl)carbonyl]amino}-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate
| Molecular Formula | C19H21Br2NO3S2 |
|---|---|
| Molecular Weight | 532.93 g/mol |
| LogP | 6.8127 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 532.933 |
| Heavy Atoms | 27 |
| Complexity | 824.8686 |
Chemical Identifiers
| CAS Number | 438236-98-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCCCC2)NC(=O)C3=CC(=C(S3)Br)Br |
Product Overview
ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate (CAS 438236-98-7), with molecular formula C19H21Br2NO3S2 and molecular weight 532.93 g/mol. IUPAC: ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate
Property Insights of ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate
The XLogP value of 6.8127 indicates that ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate is 438236-98-7.
What is the molecular formula of ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate is C19H21Br2NO3S2.
What is the molecular weight of ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate is 532.93 g/mol.
Where can I buy ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.