RefChem:1071617
TL;DR: RefChem:1071617 (CAS 143667-42-9) is a chemical compound with molecular formula C26H27N5O6S and molecular weight 537.1682 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,5R,6R)-3,3-dimethyl-6-[[2-[[(2E)-2-[(3-methylbenzoyl)hydrazinylidene]acetyl]amino]-2-phenylacetyl]amino]-7-oxo-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-6-((((((3-methylbenzoyl)hydrazono)acetyl)amino)phenylacetyl)amino)-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(S*)))-, 6alpha-[[[[[2-[3-Methylbenzoyl]hydrazono]acetyl]amino]phenylacetyl]amino]penicillanic acid, (2S,5R,6R)-3,3-dimethyl-6-[2-(2-{[(3-methylphenyl)formamido]imino}acetamido)-2-phenylacetamido]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Technical Specifications
| Molecular Formula | C26H27N5O6S |
| Molecular Weight | 537.1682 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 183.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 537.1682 Da |
| Heavy Atoms | 38 |
| Complexity | 997.0 |
| SMILES | CC1=CC(=CC=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 |
| InChIKey | LVILLAHEXAVJPK-AILNVWELSA-N |
Chemical Property Profile of RefChem:1071617
Property Insights of RefChem:1071617
The XLogP value of 3.2 indicates that RefChem:1071617 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 183.0 Ų indicates high polarity, suggesting RefChem:1071617 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1071617 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1071617?
The CAS number of RefChem:1071617 is 143667-42-9.
What is the molecular formula of RefChem:1071617?
The molecular formula of RefChem:1071617 is C26H27N5O6S.
What is the molecular weight of RefChem:1071617?
The molecular weight of RefChem:1071617 is 537.1682 g/mol.
Where can I buy RefChem:1071617?
You can request a quote for RefChem:1071617 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1071617?
Yes, CoreyChem provides custom synthesis services for RefChem:1071617 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.