C28H31N5O7S
TL;DR: C28H31N5O7S (CAS 143729-84-4) is a chemical compound with molecular formula C28H31N5O7S and molecular weight 581.19 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-[[2-[(4-propoxybenzoyl)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-propoxybenzoyl)hydrazono)acetyl)amino)acetyl)amino)-, (2S-(2-alpha,5-alpha,6-beta(S*)))-, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,3,3-dimethyl-7-oxo-6-[[phenyl[[[(4-propoxybenzoyl)hydrazono]acetyl]amino]acetyl]amino]-,[2S-[2a,5a,6b(S*)]]- (9CI)
| Molecular Formula | C28H31N5O7S |
|---|---|
| Molecular Weight | 581.19 g/mol |
| LogP | 1.6802 |
| Topological Polar Surface Area | 166.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 581.1944 |
| Heavy Atoms | 41 |
| Complexity | 1349.3594 |
Chemical Identifiers
| CAS Number | 143729-84-4 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C(=O)NN=CC(=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
C28H31N5O7S (CAS 143729-84-4), with molecular formula C28H31N5O7S and molecular weight 581.19 g/mol. IUPAC: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-phenyl-2-[[2-[(4-propoxybenzoyl)hydrazinylidene]acetyl]amino]acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of C28H31N5O7S
Property Insights of C28H31N5O7S
The XLogP value of 1.6802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C28H31N5O7S. The TPSA of 166.5 Ų indicates high polarity, suggesting C28H31N5O7S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C28H31N5O7S has 4 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 C28H31N5O7S?
The CAS number of C28H31N5O7S is 143729-84-4.
What is the molecular formula of C28H31N5O7S?
The molecular formula of C28H31N5O7S is C28H31N5O7S.
What is the molecular weight of C28H31N5O7S?
The molecular weight of C28H31N5O7S is 581.19 g/mol.
Where can I buy C28H31N5O7S?
You can request a quote for C28H31N5O7S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H31N5O7S?
Yes, KEHONG BIO provides custom synthesis services for C28H31N5O7S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.