溶链菌素
TL;DR: 溶链菌素 (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.
溶链菌素
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
溶链菌素 (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 溶链菌素
Property Insights of 溶链菌素
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 溶链菌素. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 溶链菌素. Following Lipinski's Rule of Five, 溶链菌素 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 溶链菌素?
The CAS number of 溶链菌素 is 39325-01-4.
What is the molecular formula of 溶链菌素?
The molecular formula of 溶链菌素 is C16H17N2O4S-.
What is the molecular weight of 溶链菌素?
The molecular weight of 溶链菌素 is 333.09 g/mol.
Where can I buy 溶链菌素?
You can request a quote for 溶链菌素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溶链菌素?
Yes, KEHONG BIO provides custom synthesis services for 溶链菌素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.