T 1221
TL;DR: T 1221 (CAS 65125-89-5) is a chemical compound with molecular formula C25H31N5O7S and molecular weight 545.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R)-6-[[2-[(4-butyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: T 1221, 6-(D-(-)-alpha-(4-Butyl-2,3-dioxo-1-piperazinecarboxamido)phenylacetamido)penicillanic acid, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((4-butyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(S*)))-, (2S,5R)-6-[(2-{[(4-Butyl-2,3-dioxopiperazin-1-yl)(hydroxy)methylidene]amino}-1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R)-6-[[2-[(4-butyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C25H31N5O7S |
|---|---|
| Molecular Weight | 545.19 g/mol |
| LogP | 0.5399 |
| Topological Polar Surface Area | 156.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 545.1944 |
| Heavy Atoms | 38 |
| Complexity | 1160.016 |
Chemical Identifiers
| CAS Number | 65125-89-5 |
|---|---|
| SMILES | CCCCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O |
Product Overview
T 1221 (CAS 65125-89-5), with molecular formula C25H31N5O7S and molecular weight 545.19 g/mol. IUPAC: (2S,5R)-6-[[2-[(4-butyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of T 1221
Property Insights of T 1221
The XLogP value of 0.5399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for T 1221. The TPSA of 156.43 Ų indicates high polarity, suggesting T 1221 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, T 1221 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of T 1221?
The CAS number of T 1221 is 65125-89-5.
What is the molecular formula of T 1221?
The molecular formula of T 1221 is C25H31N5O7S.
What is the molecular weight of T 1221?
The molecular weight of T 1221 is 545.19 g/mol.
Where can I buy T 1221?
You can request a quote for T 1221 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for T 1221?
Yes, KEHONG BIO provides custom synthesis services for T 1221 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.