RefChem:1073407
TL;DR: RefChem:1073407 (CAS 101233-81-2) is a chemical compound with molecular formula C23H24N6O5S3 and molecular weight 560.09705 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6S,7S)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: 5H-1-Pyrindinium, 6,7-dihydro-4-(((7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6R-(6-alpha,7-beta(Z)))-, (6S,7S)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, L-Cysteine,N-[N-[N-[N-[N-[N6-[(1,1-dimethylethoxy)carbonyl]-N2-[N-[N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanyl]-L-tryptophyl]-L-lysyl]-O-(1,1-dimethylethyl)-L-threonyl]-L-phenylalanyl]-O-(1,1-dimethylethyl)-L-threonyl]-O-(1,1-dimethylethyl)-L-seryl]-S-(1,1-dimethylethyl)-
Technical Specifications
| Molecular Formula | C23H24N6O5S3 |
| Molecular Weight | 560.09705 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 233.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 560.09705 Da |
| Heavy Atoms | 37 |
| Complexity | 1010.0 |
| SMILES | C[N+]1=C2CCCC2=C(C=C1)SCC3=C(N4[C@H]([C@H](C4=O)NC(=O)/C(=N/OC)/C5=CSC(=N5)N)SC3)C(=O)[O-] |
| InChIKey | VYFQXYTXSSGACJ-MNEUHDAZSA-N |
Chemical Property Profile of RefChem:1073407
Property Insights of RefChem:1073407
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1073407. The TPSA of 233.0 Ų indicates high polarity, suggesting RefChem:1073407 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1073407 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1073407?
The CAS number of RefChem:1073407 is 101233-81-2.
What is the molecular formula of RefChem:1073407?
The molecular formula of RefChem:1073407 is C23H24N6O5S3.
What is the molecular weight of RefChem:1073407?
The molecular weight of RefChem:1073407 is 560.09705 g/mol.
Where can I buy RefChem:1073407?
You can request a quote for RefChem:1073407 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1073407?
Yes, CoreyChem provides custom synthesis services for RefChem:1073407 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.