J499.234B
TL;DR: J499.234B (CAS 118680-12-9) is a chemical compound with molecular formula C24H23N5O11S2 and molecular weight 621.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[(3,4-dihydroxybenzoyl)oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypr, (6R)-3-[(3,4-Dihydroxybenzoyloxy)methyl]-7alpha-[[(2-amino-4-thiazolyl)[(Z)-1-carboxy-1-methylethoxyimino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1-carboxy-1-methylethoxy)imino]acetamido]-3-[(3,4-dihydroxybenzoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C24H23N5O11S2 |
|---|---|
| Molecular Weight | 621.08 g/mol |
| LogP | 0.316 |
| Topological Polar Surface Area | 251.27 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 621.08356 |
| Heavy Atoms | 42 |
| Complexity | 1550.712 |
Chemical Identifiers
| CAS Number | 118680-12-9 |
|---|---|
| SMILES | CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)C4=CC(=C(C=C4)O)O)C(=O)O |
Product Overview
J499.234B (CAS 118680-12-9), with molecular formula C24H23N5O11S2 and molecular weight 621.08 g/mol. IUPAC: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[(3,4-dihydroxybenzoyl)oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of J499.234B
Property Insights of J499.234B
The XLogP value of 0.316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J499.234B. The TPSA of 251.27 Ų indicates high polarity, suggesting J499.234B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J499.234B has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J499.234B?
The CAS number of J499.234B is 118680-12-9.
What is the molecular formula of J499.234B?
The molecular formula of J499.234B is C24H23N5O11S2.
What is the molecular weight of J499.234B?
The molecular weight of J499.234B is 621.08 g/mol.
Where can I buy J499.234B?
You can request a quote for J499.234B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J499.234B?
Yes, KEHONG BIO provides custom synthesis services for J499.234B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.