普鲁卡因青霉素
TL;DR: 普鲁卡因青霉素 (CAS 54-35-3) is a chemical compound with molecular formula C29H38N4O6S and molecular weight 570.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
普鲁卡因青霉素
2-(diethylamino)ethyl 4-aminobenzoate;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Procaine penicillin G, Depocillin, Hostacillin, Hydracillin, Retardillin
| Molecular Formula | C29H38N4O6S |
|---|---|
| Molecular Weight | 570.25 g/mol |
| LogP | 2.63 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 570.2512 |
| Heavy Atoms | 40 |
| Complexity | 752.0 |
| Solubility | Slightly soluble |
Chemical Identifiers
| CAS Number | 54-35-3 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C |
| InChIKey | WHRVRSCEWKLAHX-LQDWTQKMSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
普鲁卡因青霉素 (CAS 54-35-3), with molecular formula C29H38N4O6S and molecular weight 570.25 g/mol. IUPAC: 2-(diethylamino)ethyl 4-aminobenzoate;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of 普鲁卡因青霉素
Property Insights of 普鲁卡因青霉素
The XLogP value of 2.63 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 普鲁卡因青霉素. The TPSA of 168.0 Ų indicates high polarity, suggesting 普鲁卡因青霉素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 普鲁卡因青霉素 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 普鲁卡因青霉素?
The CAS number of 普鲁卡因青霉素 is 54-35-3.
What is the molecular formula of 普鲁卡因青霉素?
The molecular formula of 普鲁卡因青霉素 is C29H38N4O6S.
What is the molecular weight of 普鲁卡因青霉素?
The molecular weight of 普鲁卡因青霉素 is 570.25 g/mol.
Where can I buy 普鲁卡因青霉素?
You can request a quote for 普鲁卡因青霉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 普鲁卡因青霉素?
Yes, KEHONG BIO provides custom synthesis services for 普鲁卡因青霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.