青霉素磺胺
TL;DR: 青霉素磺胺 (CAS 1406-10-6) is a chemical compound with molecular formula C16H19N3O6S2 and molecular weight 413.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
青霉素磺胺
sulfamoyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: Penicillin sulfonamide, PENICILLIN-SULFONAMIDE, sulfamoyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, SULFAMOYL3,3-DIMETHYL-7-OXO-6-[(2-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-carbonyl sulfamate
| Molecular Formula | C16H19N3O6S2 |
|---|---|
| Molecular Weight | 413.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.07153 |
| Heavy Atoms | 27 |
| Complexity | 742.0 |
Chemical Identifiers
| CAS Number | 1406-10-6 |
|---|---|
| SMILES | CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OS(=O)(=O)N)C |
| InChIKey | VXRVKZONCBJPFY-UHFFFAOYSA-N |
Product Overview
青霉素磺胺 (CAS 1406-10-6), with molecular formula C16H19N3O6S2 and molecular weight 413.07 g/mol. IUPAC: sulfamoyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
Chemical Property Profile of 青霉素磺胺
Property Insights of 青霉素磺胺
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 青霉素磺胺. The TPSA of 170.0 Ų indicates high polarity, suggesting 青霉素磺胺 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 青霉素磺胺 has 2 hydrogen bond donor(s) and 8 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 青霉素磺胺?
The CAS number of 青霉素磺胺 is 1406-10-6.
What is the molecular formula of 青霉素磺胺?
The molecular formula of 青霉素磺胺 is C16H19N3O6S2.
What is the molecular weight of 青霉素磺胺?
The molecular weight of 青霉素磺胺 is 413.07 g/mol.
Where can I buy 青霉素磺胺?
You can request a quote for 青霉素磺胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 青霉素磺胺?
Yes, KEHONG BIO provides custom synthesis services for 青霉素磺胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.