RefChem:1071617
TL;DR: RefChem:1071617 (CAS 143667-42-9) is a chemical compound with molecular formula C26H27N5O6S and molecular weight 537.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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, RefChem:1071617
| Molecular Formula | C26H27N5O6S |
|---|---|
| Molecular Weight | 537.17 g/mol |
| LogP | 1.19982 |
| Topological Polar Surface Area | 157.27 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 537.1682 |
| Heavy Atoms | 38 |
| Complexity | 1314.2168 |
Chemical Identifiers
| CAS Number | 143667-42-9 |
|---|---|
| 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 |
Product Overview
RefChem:1071617 (CAS 143667-42-9), with molecular formula C26H27N5O6S and molecular weight 537.17 g/mol. IUPAC: (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.
Chemical Property Profile of RefChem:1071617
Property Insights of RefChem:1071617
The XLogP value of 1.19982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1071617. The TPSA of 157.27 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 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 537.17 g/mol.
Where can I buy RefChem:1071617?
You can request a quote for RefChem:1071617 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071617?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071617 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.