C16H15BrN2O2S2
TL;DR: C16H15BrN2O2S2 (CAS 327075-47-8) is a chemical compound with molecular formula C16H15BrN2O2S2 and molecular weight 409.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-3-(4-bromothiophen-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 2-{[(2E)-3-(4-bromothiophen-2-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, (E)-2-(3-(4-bromothiophen-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-[(2E)-3-(4-bromo(2-thienyl))prop-2-enoylamino]-4,5,6,7-tetrahydrobenzo[b]thi ophene-3-carboxamide, 2-[[(E)-3-(4-bromothiophen-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C16H15BrN2O2S2 |
|---|---|
| Molecular Weight | 409.98 g/mol |
| LogP | 4.2017 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.97583 |
| Heavy Atoms | 23 |
| Complexity | 792.1006 |
Chemical Identifiers
| CAS Number | 327075-47-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)/C=C/C3=CC(=CS3)Br)C(=O)N |
Product Overview
C16H15BrN2O2S2 (CAS 327075-47-8), with molecular formula C16H15BrN2O2S2 and molecular weight 409.98 g/mol. IUPAC: 2-[[(E)-3-(4-bromothiophen-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of C16H15BrN2O2S2
Property Insights of C16H15BrN2O2S2
The XLogP value of 4.2017 indicates that C16H15BrN2O2S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H15BrN2O2S2. Following Lipinski's Rule of Five, C16H15BrN2O2S2 has 2 hydrogen bond donor(s) and 4 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 C16H15BrN2O2S2?
The CAS number of C16H15BrN2O2S2 is 327075-47-8.
What is the molecular formula of C16H15BrN2O2S2?
The molecular formula of C16H15BrN2O2S2 is C16H15BrN2O2S2.
What is the molecular weight of C16H15BrN2O2S2?
The molecular weight of C16H15BrN2O2S2 is 409.98 g/mol.
Where can I buy C16H15BrN2O2S2?
You can request a quote for C16H15BrN2O2S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H15BrN2O2S2?
Yes, KEHONG BIO provides custom synthesis services for C16H15BrN2O2S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.