Prototapen
TL;DR: Prototapen (CAS 84255-15-2) is a chemical compound with molecular formula C29H38N4O8S2 and molecular weight 634.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;4-(dipropylsulfamoyl)benzoic acid
Also Known As: Prototapen, 4,4'-Carbonimidoylbis[N,N-dimethylaniline] nitrate, (2s,5r,6r)-6-{[amino(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid- 4-(dipropylsulfamoyl)benzoic acid(1:1), Benzenamine, 4,4'-carbonimidoylbis(N,N-dimethyl-, mononitrate, Benzenamine, 4,4'-carbonimidoylbis[N,N-dimethyl-, mononitrate
| Molecular Formula | C29H38N4O8S2 |
|---|---|
| Molecular Weight | 634.21 g/mol |
| LogP | 2.5136 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 634.21313 |
| Heavy Atoms | 43 |
| Complexity | 935.0 |
Chemical Identifiers
| CAS Number | 84255-15-2 |
|---|---|
| SMILES | CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C |
| InChIKey | HIPBWZZGQFEBCC-GJUCOGTPSA-N |
Product Overview
Prototapen (CAS 84255-15-2), with molecular formula C29H38N4O8S2 and molecular weight 634.21 g/mol. IUPAC: (2S,5R,6R)-6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;4-(dipropylsulfamoyl)benzoic acid.
Chemical Property Profile of Prototapen
Property Insights of Prototapen
The XLogP value of 2.5136 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prototapen. The TPSA of 221.0 Ų indicates high polarity, suggesting Prototapen may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Prototapen has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Prototapen?
The CAS number of Prototapen is 84255-15-2.
What is the molecular formula of Prototapen?
The molecular formula of Prototapen is C29H38N4O8S2.
What is the molecular weight of Prototapen?
The molecular weight of Prototapen is 634.21 g/mol.
Where can I buy Prototapen?
You can request a quote for Prototapen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prototapen?
Yes, KEHONG BIO provides custom synthesis services for Prototapen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.