Diethyl 2-(benzo(B)thiophene-3-ylmethyl)-2-formamido)malonate
TL;DR: Diethyl 2-(benzo(B)thiophene-3-ylmethyl)-2-formamido)malonate (CAS 72071-48-8) is a chemical compound with molecular formula C17H19NO5S and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(1-benzothiophen-3-ylmethyl)-2-formamidopropanedioate
Also Known As: DIETHYL 2-(BENZO(B)THIOPHENE-3-YLMETHYL)-2-FORMAMIDO)MALONATE, Diethyl 2-(benzothiophen-3-ylmethyl)-2-formamido-propanedioate, diethyl 2-(1-benzothiophen-3-ylmethyl)-2-formamidopropanedioate
| Molecular Formula | C17H19NO5S |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 2.0548 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 349.0984 |
| Heavy Atoms | 24 |
| Complexity | 721.4111 |
Chemical Identifiers
| CAS Number | 72071-48-8 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CSC2=CC=CC=C21)(C(=O)OCC)NC=O |
Product Overview
Diethyl 2-(benzo(B)thiophene-3-ylmethyl)-2-formamido)malonate (CAS 72071-48-8), with molecular formula C17H19NO5S and molecular weight 349.10 g/mol. IUPAC: diethyl 2-(1-benzothiophen-3-ylmethyl)-2-formamidopropanedioate.
Chemical Property Profile of Diethyl 2-(benzo(B)thiophene-3-ylmethyl)-2-formamido)malonate
Property Insights of Diethyl 2-(benzo(B)thiophene-3-ylmethyl)-2-formamido)malonate
The XLogP value of 2.0548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(benzo(B)thiophene-3-ylmethyl)-2-formamido)malonate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(benzo(B)thiophene-3-ylmethyl)-2-formamido)malonate. Following Lipinski's Rule of Five, Diethyl 2-(benzo(B)thiophene-3-ylmethyl)-2-formamido)malonate has 1 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 Diethyl 2-(benzo(B)thiophene-3-ylmethyl)-2-formamido)malonate?
The CAS number of Diethyl 2-(benzo(B)thiophene-3-ylmethyl)-2-formamido)malonate is 72071-48-8.
What is the molecular formula of Diethyl 2-(benzo(B)thiophene-3-ylmethyl)-2-formamido)malonate?
The molecular formula of Diethyl 2-(benzo(B)thiophene-3-ylmethyl)-2-formamido)malonate is C17H19NO5S.
What is the molecular weight of Diethyl 2-(benzo(B)thiophene-3-ylmethyl)-2-formamido)malonate?
The molecular weight of Diethyl 2-(benzo(B)thiophene-3-ylmethyl)-2-formamido)malonate is 349.10 g/mol.
Where can I buy Diethyl 2-(benzo(B)thiophene-3-ylmethyl)-2-formamido)malonate?
You can request a quote for Diethyl 2-(benzo(B)thiophene-3-ylmethyl)-2-formamido)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(benzo(B)thiophene-3-ylmethyl)-2-formamido)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(benzo(B)thiophene-3-ylmethyl)-2-formamido)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.