RefChem:1071618
TL;DR: RefChem:1071618 (CAS 143667-45-2) is a chemical compound with molecular formula C26H28N6O6S and molecular weight 552.18 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-[[4-(methylamino)benzoyl]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-((((((4-(methylamino)benzoyl)hydrazono)acetyl)amino)phenylacetyl)amino)-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(S*)))-, (2S,5R,6R)-3,3-dimethyl-6-{2-[2-({[4-(methylamino)phenyl]formamido}imino)acetamido]-2-phenylacetamido}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6alpha-[[[[[2-[4-(Methylamino)benzoyl]hydrazono]acetyl]amino]phenylacetyl]amino]penicillanic acid, RefChem:1071618
| Molecular Formula | C26H28N6O6S |
|---|---|
| Molecular Weight | 552.18 g/mol |
| LogP | 0.9331 |
| Topological Polar Surface Area | 169.3 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 552.1791 |
| Heavy Atoms | 39 |
| Complexity | 1315.9779 |
Chemical Identifiers
| CAS Number | 143667-45-2 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)/C=N/NC(=O)C4=CC=C(C=C4)NC)C(=O)O)C |
Product Overview
RefChem:1071618 (CAS 143667-45-2), with molecular formula C26H28N6O6S and molecular weight 552.18 g/mol. IUPAC: (2S,5R,6R)-3,3-dimethyl-6-[[2-[[(2E)-2-[[4-(methylamino)benzoyl]hydrazinylidene]acetyl]amino]-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of RefChem:1071618
Property Insights of RefChem:1071618
The XLogP value of 0.9331 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1071618. The TPSA of 169.3 Ų indicates high polarity, suggesting RefChem:1071618 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1071618 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:1071618?
The CAS number of RefChem:1071618 is 143667-45-2.
What is the molecular formula of RefChem:1071618?
The molecular formula of RefChem:1071618 is C26H28N6O6S.
What is the molecular weight of RefChem:1071618?
The molecular weight of RefChem:1071618 is 552.18 g/mol.
Where can I buy RefChem:1071618?
You can request a quote for RefChem:1071618 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071618?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071618 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.