BAS 01392718
TL;DR: BAS 01392718 (CAS 302806-24-2) is a chemical compound with molecular formula C18H16N2O7S and molecular weight 404.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(3-nitrobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Also Known As: BAS 01392718, BIM-0045379.P001, dimethyl 2-[(3-nitrobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, 2-(3-Nitro-benzoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic, dimethyl 2-(3-nitrobenzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
| Molecular Formula | C18H16N2O7S |
|---|---|
| Molecular Weight | 404.07 g/mol |
| LogP | 2.898 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.0678 |
| Heavy Atoms | 28 |
| Complexity | 982.3089 |
Chemical Identifiers
| CAS Number | 302806-24-2 |
|---|---|
| SMILES | COC(=O)C1CCC2=C1C(=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC |
Product Overview
BAS 01392718 (CAS 302806-24-2), with molecular formula C18H16N2O7S and molecular weight 404.07 g/mol. IUPAC: dimethyl 2-[(3-nitrobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate.
Chemical Property Profile of BAS 01392718
Property Insights of BAS 01392718
The XLogP value of 2.898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01392718. The TPSA of 124.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01392718. Following Lipinski's Rule of Five, BAS 01392718 has 1 hydrogen bond donor(s) and 8 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 BAS 01392718?
The CAS number of BAS 01392718 is 302806-24-2.
What is the molecular formula of BAS 01392718?
The molecular formula of BAS 01392718 is C18H16N2O7S.
What is the molecular weight of BAS 01392718?
The molecular weight of BAS 01392718 is 404.07 g/mol.
Where can I buy BAS 01392718?
You can request a quote for BAS 01392718 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01392718?
Yes, KEHONG BIO provides custom synthesis services for BAS 01392718 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.