Cyclopentanebutanoicacid, 2-(carboxymethylene)-
TL;DR: Cyclopentanebutanoicacid, 2-(carboxymethylene)- (CAS 5732-66-1) is a chemical compound with molecular formula C23H21N3O5S and molecular weight 451.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
Also Known As: Cyclopentanebutanoicacid, 2-(carboxymethylene)-, [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate, N-(2-{2-[(3-Carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)imino]-2-hydroxyethoxy}-2-oxoethyl)naphthalene-2-carboximidic acid
| Molecular Formula | C23H21N3O5S |
|---|---|
| Molecular Weight | 451.12 g/mol |
| LogP | 2.4006 |
| Topological Polar Surface Area | 127.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.12018 |
| Heavy Atoms | 32 |
| Complexity | 1233.595 |
Chemical Identifiers
| CAS Number | 5732-66-1 |
|---|---|
| SMILES | C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)COC(=O)CNC(=O)C3=CC4=CC=CC=C4C=C3 |
Product Overview
Cyclopentanebutanoicacid, 2-(carboxymethylene)- (CAS 5732-66-1), with molecular formula C23H21N3O5S and molecular weight 451.12 g/mol. IUPAC: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate.
Chemical Property Profile of Cyclopentanebutanoicacid, 2-(carboxymethylene)-
Property Insights of Cyclopentanebutanoicacid, 2-(carboxymethylene)-
The XLogP value of 2.4006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopentanebutanoicacid, 2-(carboxymethylene)-. The TPSA of 127.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclopentanebutanoicacid, 2-(carboxymethylene)-. Following Lipinski's Rule of Five, Cyclopentanebutanoicacid, 2-(carboxymethylene)- has 3 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 Cyclopentanebutanoicacid, 2-(carboxymethylene)-?
The CAS number of Cyclopentanebutanoicacid, 2-(carboxymethylene)- is 5732-66-1.
What is the molecular formula of Cyclopentanebutanoicacid, 2-(carboxymethylene)-?
The molecular formula of Cyclopentanebutanoicacid, 2-(carboxymethylene)- is C23H21N3O5S.
What is the molecular weight of Cyclopentanebutanoicacid, 2-(carboxymethylene)-?
The molecular weight of Cyclopentanebutanoicacid, 2-(carboxymethylene)- is 451.12 g/mol.
Where can I buy Cyclopentanebutanoicacid, 2-(carboxymethylene)-?
You can request a quote for Cyclopentanebutanoicacid, 2-(carboxymethylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopentanebutanoicacid, 2-(carboxymethylene)-?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentanebutanoicacid, 2-(carboxymethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.