A1927/0081059
TL;DR: A1927/0081059 (CAS 312507-01-0) is a chemical compound with molecular formula C24H20BrN3OS3 and molecular weight 541.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(4-bromophenyl)-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
Also Known As: A1927/0081059, 2-({(4-bromophenyl)[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile, 2-(((4-bromophenyl)((6-ethoxybenzo[d]thiazol-2-yl)thio)methyl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile, 2-[[(4-bromophenyl)-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile, 2-{[(4-bromophenyl)(6-ethoxybenzothiazol-2-ylthio)methyl]amino}-4,5,6-trihydro cyclopenta[2,1-b]thiophene-3-carbonitrile
| Molecular Formula | C24H20BrN3OS3 |
|---|---|
| Molecular Weight | 541.00 g/mol |
| LogP | 7.78238 |
| Topological Polar Surface Area | 57.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 540.9952 |
| Heavy Atoms | 32 |
| Complexity | 1306.766 |
Chemical Identifiers
| CAS Number | 312507-01-0 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)SC(C3=CC=C(C=C3)Br)NC4=C(C5=C(S4)CCC5)C#N |
Product Overview
A1927/0081059 (CAS 312507-01-0), with molecular formula C24H20BrN3OS3 and molecular weight 541.00 g/mol. IUPAC: 2-[[(4-bromophenyl)-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile.
Chemical Property Profile of A1927/0081059
Property Insights of A1927/0081059
The XLogP value of 7.78238 indicates that A1927/0081059 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.94 Ų, A1927/0081059 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1927/0081059 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1927/0081059?
The CAS number of A1927/0081059 is 312507-01-0.
What is the molecular formula of A1927/0081059?
The molecular formula of A1927/0081059 is C24H20BrN3OS3.
What is the molecular weight of A1927/0081059?
The molecular weight of A1927/0081059 is 541.00 g/mol.
Where can I buy A1927/0081059?
You can request a quote for A1927/0081059 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1927/0081059?
Yes, KEHONG BIO provides custom synthesis services for A1927/0081059 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.