A1889/0079351
TL;DR: A1889/0079351 (CAS 341501-36-8) is a chemical compound with molecular formula C27H29N5O3S2 and molecular weight 535.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: A1889/0079351, ethyl 2-[(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-(2-{[5-(PROP-2-EN-1-YL)-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL]SULFANYL}BUTANAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-[2-(5-prop-2-enyl-1,2,4-triazino[5,6-b]indol-3-ylthio)butanoylamino]-4 ,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C27H29N5O3S2 |
|---|---|
| Molecular Weight | 535.17 g/mol |
| LogP | 5.7919 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 535.1712 |
| Heavy Atoms | 37 |
| Complexity | 1492.4937 |
Chemical Identifiers
| CAS Number | 341501-36-8 |
|---|---|
| SMILES | CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)SC3=NC4=C(C5=CC=CC=C5N4CC=C)N=N3 |
Product Overview
A1889/0079351 (CAS 341501-36-8), with molecular formula C27H29N5O3S2 and molecular weight 535.17 g/mol. IUPAC: ethyl 2-[2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of A1889/0079351
Property Insights of A1889/0079351
The XLogP value of 5.7919 indicates that A1889/0079351 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A1889/0079351. Following Lipinski's Rule of Five, A1889/0079351 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1889/0079351?
The CAS number of A1889/0079351 is 341501-36-8.
What is the molecular formula of A1889/0079351?
The molecular formula of A1889/0079351 is C27H29N5O3S2.
What is the molecular weight of A1889/0079351?
The molecular weight of A1889/0079351 is 535.17 g/mol.
Where can I buy A1889/0079351?
You can request a quote for A1889/0079351 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1889/0079351?
Yes, KEHONG BIO provides custom synthesis services for A1889/0079351 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.