匹西班尼
TL;DR: 匹西班尼 (CAS 39325-01-4) is a chemical compound with molecular formula C16H17N2O4S- and molecular weight 333.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
匹西班尼
3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: PICIBANIL, BAS 00792992, A1853/0078020, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, 3,3-DIMETHYL-7-OXO-6-(2-PHENYLACETAMIDO)-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE
| Molecular Formula | C16H17N2O4S- |
|---|---|
| Molecular Weight | 333.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.0909 |
| Heavy Atoms | 23 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 39325-01-4 |
|---|---|
| SMILES | CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])C |
| InChIKey | JGSARLDLIJGVTE-UHFFFAOYSA-M |
Product Overview
匹西班尼 (CAS 39325-01-4), with molecular formula C16H17N2O4S- and molecular weight 333.09 g/mol. IUPAC: 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
Chemical Property Profile of 匹西班尼
Property Insights of 匹西班尼
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 匹西班尼. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 匹西班尼. Following Lipinski's Rule of Five, PICIBANIL has 1 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 PICIBANIL?
The CAS number of PICIBANIL is 39325-01-4.
What is the molecular formula of PICIBANIL?
The molecular formula of PICIBANIL is C16H17N2O4S-.
What is the molecular weight of PICIBANIL?
The molecular weight of PICIBANIL is 333.09 g/mol.
Where can I buy PICIBANIL?
You can request a quote for PICIBANIL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PICIBANIL?
Yes, KEHONG BIO provides custom synthesis services for PICIBANIL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.