BO 2669
TL;DR: BO 2669 (CAS 158342-90-6) is a chemical compound with molecular formula C20H32ClN3O4S and molecular weight 445.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1-hydroxyethyl)-4-methyl-3-[5-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrochloride
Also Known As: Pyraclonil, BO 2669, 6-(1-hydroxyethyl)-4-methyl-3-[5-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrochloride, 6-(1-hydroxyethyl)-4-methyl-3-[5-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrochloride, 6-(1-Hydroxyethyl)-4-methyl-3-{[5-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]sulfanyl}-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid--hydrogen chloride (1/1)
| Molecular Formula | C20H32ClN3O4S |
|---|---|
| Molecular Weight | 445.18 g/mol |
| LogP | 1.3674 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.1802 |
| Heavy Atoms | 29 |
| Complexity | 691.0 |
Chemical Identifiers
| CAS Number | 158342-90-6 |
|---|---|
| SMILES | CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C4CCN(CC4)C)C(=O)O)C(C)O.Cl |
| InChIKey | OPWINLXQLSAJFD-UHFFFAOYSA-N |
Product Overview
BO 2669 (CAS 158342-90-6), with molecular formula C20H32ClN3O4S and molecular weight 445.18 g/mol. IUPAC: 6-(1-hydroxyethyl)-4-methyl-3-[5-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrochloride.
Chemical Property Profile of BO 2669
Property Insights of BO 2669
The XLogP value of 1.3674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BO 2669. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BO 2669. Following Lipinski's Rule of Five, BO 2669 has 4 hydrogen bond donor(s) and 7 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 BO 2669?
The CAS number of BO 2669 is 158342-90-6.
What is the molecular formula of BO 2669?
The molecular formula of BO 2669 is C20H32ClN3O4S.
What is the molecular weight of BO 2669?
The molecular weight of BO 2669 is 445.18 g/mol.
Where can I buy BO 2669?
You can request a quote for BO 2669 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BO 2669?
Yes, KEHONG BIO provides custom synthesis services for BO 2669 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.