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2-({2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]phenyl}carbamoyl)phenyl acetate
TL;DR: 2-({2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]phenyl}carbamoyl)phenyl acetate (CAS 461448-38-4) is a chemical compound with molecular formula C27H19N3O3S2 and molecular weight 497.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]carbamoyl]phenyl] acetate
Also Known As: 2-({2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]phenyl}carbamoyl)phenyl acetate, [2-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]carbamoyl]phenyl] acetate, 2-((2-((5-phenylthieno[2,3-d]pyrimidin-4-yl)thio)phenyl)carbamoyl)phenyl acetate
| Molecular Formula | C27H19N3O3S2 |
|---|---|
| Molecular Weight | 497.09 g/mol |
| LogP | 6.6871 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.0868 |
| Heavy Atoms | 35 |
| Complexity | 1533.5573 |
Chemical Identifiers
| CAS Number | 461448-38-4 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)NC2=CC=CC=C2SC3=NC=NC4=C3C(=CS4)C5=CC=CC=C5 |
Product Overview
2-({2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]phenyl}carbamoyl)phenyl acetate (CAS 461448-38-4), with molecular formula C27H19N3O3S2 and molecular weight 497.09 g/mol. IUPAC: [2-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]carbamoyl]phenyl] acetate.
Chemical Property Profile of 2-({2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]phenyl}carbamoyl)phenyl acetate
Property Insights of 2-({2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]phenyl}carbamoyl)phenyl acetate
The XLogP value of 6.6871 indicates that 2-({2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]phenyl}carbamoyl)phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]phenyl}carbamoyl)phenyl acetate. Following Lipinski's Rule of Five, 2-({2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]phenyl}carbamoyl)phenyl acetate 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 2-({2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]phenyl}carbamoyl)phenyl acetate?
The CAS number of 2-({2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]phenyl}carbamoyl)phenyl acetate is 461448-38-4.
What is the molecular formula of 2-({2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]phenyl}carbamoyl)phenyl acetate?
The molecular formula of 2-({2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]phenyl}carbamoyl)phenyl acetate is C27H19N3O3S2.
What is the molecular weight of 2-({2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]phenyl}carbamoyl)phenyl acetate?
The molecular weight of 2-({2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]phenyl}carbamoyl)phenyl acetate is 497.09 g/mol.
Where can I buy 2-({2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]phenyl}carbamoyl)phenyl acetate?
You can request a quote for 2-({2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]phenyl}carbamoyl)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]phenyl}carbamoyl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-({2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]phenyl}carbamoyl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.