AB00684321-01
TL;DR: AB00684321-01 (CAS 392325-72-3) is a chemical compound with molecular formula C16H15N3O4S2 and molecular weight 377.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: AB00684321-01, F0447-0127, 2-[(2E)-3-(5-nitrothiophen-2-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, (E)-2-(3-(5-nitrothiophen-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-[[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C16H15N3O4S2 |
|---|---|
| Molecular Weight | 377.05 g/mol |
| LogP | 3.3474 |
| Topological Polar Surface Area | 115.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.05038 |
| Heavy Atoms | 25 |
| Complexity | 882.072 |
Chemical Identifiers
| CAS Number | 392325-72-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)/C=C/C3=CC=C(S3)[N+](=O)[O-])C(=O)N |
Product Overview
AB00684321-01 (CAS 392325-72-3), with molecular formula C16H15N3O4S2 and molecular weight 377.05 g/mol. IUPAC: 2-[[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of AB00684321-01
Property Insights of AB00684321-01
The XLogP value of 3.3474 indicates that AB00684321-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.33 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684321-01. Following Lipinski's Rule of Five, AB00684321-01 has 2 hydrogen bond donor(s) and 6 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 AB00684321-01?
The CAS number of AB00684321-01 is 392325-72-3.
What is the molecular formula of AB00684321-01?
The molecular formula of AB00684321-01 is C16H15N3O4S2.
What is the molecular weight of AB00684321-01?
The molecular weight of AB00684321-01 is 377.05 g/mol.
Where can I buy AB00684321-01?
You can request a quote for AB00684321-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684321-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684321-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.