AB00674681-01
TL;DR: AB00674681-01 (CAS 327061-89-2) is a chemical compound with molecular formula C28H24N4O2S and molecular weight 480.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: AB00674681-01, (E)-2-(3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{(2E)-2-cyano-3-[1-benzylindol-3-yl]prop-2-enoylamino}-4,5,6,7-tetrahydroben zo[b]thiophene-3-carboxamide, 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C28H24N4O2S |
|---|---|
| Molecular Weight | 480.16 g/mol |
| LogP | 5.27448 |
| Topological Polar Surface Area | 100.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.162 |
| Heavy Atoms | 35 |
| Complexity | 1505.2333 |
Chemical Identifiers
| CAS Number | 327061-89-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)/C#N)C(=O)N |
Product Overview
AB00674681-01 (CAS 327061-89-2), with molecular formula C28H24N4O2S and molecular weight 480.16 g/mol. IUPAC: 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of AB00674681-01
Property Insights of AB00674681-01
The XLogP value of 5.27448 indicates that AB00674681-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00674681-01. Following Lipinski's Rule of Five, AB00674681-01 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00674681-01?
The CAS number of AB00674681-01 is 327061-89-2.
What is the molecular formula of AB00674681-01?
The molecular formula of AB00674681-01 is C28H24N4O2S.
What is the molecular weight of AB00674681-01?
The molecular weight of AB00674681-01 is 480.16 g/mol.
Where can I buy AB00674681-01?
You can request a quote for AB00674681-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00674681-01?
Yes, KEHONG BIO provides custom synthesis services for AB00674681-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.