苄青霉素
TL;DR: 苄青霉素 (CAS 61-33-6) is a chemical compound with molecular formula C16H18N2O4S and molecular weight 334.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄青霉素
3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Penicillin, penicillin g, Cillin, penicillins, Pentids
| Molecular Formula | C16H18N2O4S |
|---|---|
| Molecular Weight | 334.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.09872 |
| Heavy Atoms | 23 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 61-33-6 |
|---|---|
| SMILES | CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C |
| InChIKey | JGSARLDLIJGVTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄青霉素 (CAS 61-33-6), with molecular formula C16H18N2O4S and molecular weight 334.10 g/mol. IUPAC: 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of 苄青霉素
Property Insights of 苄青霉素
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苄青霉素. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 苄青霉素. Following Lipinski's Rule of Five, 苄青霉素 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 苄青霉素?
The CAS number of 苄青霉素 is 61-33-6.
What is the molecular formula of 苄青霉素?
The molecular formula of 苄青霉素 is C16H18N2O4S.
What is the molecular weight of 苄青霉素?
The molecular weight of 苄青霉素 is 334.10 g/mol.
Where can I buy 苄青霉素?
You can request a quote for 苄青霉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄青霉素?
Yes, KEHONG BIO provides custom synthesis services for 苄青霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.