RefChem:1071622
TL;DR: RefChem:1071622 (CAS 143667-46-3) is a chemical compound with molecular formula C28H32N6O6S and molecular weight 580.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-phenyl-2-[[(2E)-2-[[4-(propylamino)benzoyl]hydrazinylidene]acetyl]amino]acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenyl((((4-(propylamino)benzoyl)hydrazono)acetyl)amino)acetyl)amino)-, (2S-(2-alpha,5-alpha,6-beta(S*)))-, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-{2-phenyl-2-[2-({[4-(propylamino)phenyl]formamido}imino)acetamido]acetamido}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6alpha-[[[[[2-[4-(Propylamino)benzoyl]hydrazono]acetyl]amino]phenylacetyl]amino]penicillanic acid, RefChem:1071622
| Molecular Formula | C28H32N6O6S |
|---|---|
| Molecular Weight | 580.21 g/mol |
| LogP | 1.7133 |
| Topological Polar Surface Area | 169.3 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 580.2104 |
| Heavy Atoms | 41 |
| Complexity | 1349.601 |
Chemical Identifiers
| CAS Number | 143667-46-3 |
|---|---|
| SMILES | CCCNC1=CC=C(C=C1)C(=O)N/N=C/C(=O)NC(C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O |
Product Overview
RefChem:1071622 (CAS 143667-46-3), with molecular formula C28H32N6O6S and molecular weight 580.21 g/mol. IUPAC: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-phenyl-2-[[(2E)-2-[[4-(propylamino)benzoyl]hydrazinylidene]acetyl]amino]acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of RefChem:1071622
Property Insights of RefChem:1071622
The XLogP value of 1.7133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1071622. The TPSA of 169.3 Ų indicates high polarity, suggesting RefChem:1071622 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1071622 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1071622?
The CAS number of RefChem:1071622 is 143667-46-3.
What is the molecular formula of RefChem:1071622?
The molecular formula of RefChem:1071622 is C28H32N6O6S.
What is the molecular weight of RefChem:1071622?
The molecular weight of RefChem:1071622 is 580.21 g/mol.
Where can I buy RefChem:1071622?
You can request a quote for RefChem:1071622 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071622?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071622 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.