BAS 03321225
TL;DR: BAS 03321225 (CAS 1005068-61-0) is a chemical compound with molecular formula C13H17NO5S and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1,1-dioxothiolan-3-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: BAS 03321225, 3-((1,1-Dioxidotetrahydrothiophen-3-yl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, AE-848/32188044, 3-(1,1-Dioxotetrahydro-1lambda*6*-thiophen-3-yl-carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, BRD-A79392689-001-08-5
| Molecular Formula | C13H17NO5S |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.08273 |
| Heavy Atoms | 20 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 1005068-61-0 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=O)C2C3CC(C2C(=O)O)C=C3 |
| InChIKey | XIRXKFDSWCTJQG-UHFFFAOYSA-N |
Product Overview
BAS 03321225 (CAS 1005068-61-0), with molecular formula C13H17NO5S and molecular weight 299.08 g/mol. IUPAC: 3-[(1,1-dioxothiolan-3-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of BAS 03321225
Property Insights of BAS 03321225
The XLogP value of -0.3 indicates that BAS 03321225 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03321225. Following Lipinski's Rule of Five, BAS 03321225 has 2 hydrogen bond donor(s) and 5 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 03321225?
The CAS number of BAS 03321225 is 1005068-61-0.
What is the molecular formula of BAS 03321225?
The molecular formula of BAS 03321225 is C13H17NO5S.
What is the molecular weight of BAS 03321225?
The molecular weight of BAS 03321225 is 299.08 g/mol.
Where can I buy BAS 03321225?
You can request a quote for BAS 03321225 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03321225?
Yes, KEHONG BIO provides custom synthesis services for BAS 03321225 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.