BO 1236
TL;DR: BO 1236 (CAS 105358-77-8) is a chemical compound with molecular formula C26H28N6O9S2 and molecular weight 632.1359 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6S,7S)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[(5,6-dihydroxy-2-methyl-1,3-dihydroisoindol-2-ium-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: BO 1236, 1H-Isoindolium, 2-((7-(((2-amino-4-thiazolyl)((1-carboxy-1-methylethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-2,3-dihydro-5,6-dihydroxy-2-methyl-, hydroxide, inner salt, (6R-(6alpha,7beta(Z)))-
Technical Specifications
| Molecular Formula | C26H28N6O9S2 |
| Molecular Weight | 632.1359 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 281.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 632.1359 Da |
| Heavy Atoms | 43 |
| Complexity | 1240.0 |
| 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)C[N+]4(CC5=CC(=C(C=C5C4)O)O)C)C(=O)[O-] |
| InChIKey | QDBUMQXESHMJDI-AVRDEDQJSA-N |
Chemical Property Profile of BO 1236
Property Insights of BO 1236
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BO 1236. The TPSA of 281.0 Ų indicates high polarity, suggesting BO 1236 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BO 1236 has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BO 1236?
The CAS number of BO 1236 is 105358-77-8.
What is the molecular formula of BO 1236?
The molecular formula of BO 1236 is C26H28N6O9S2.
What is the molecular weight of BO 1236?
The molecular weight of BO 1236 is 632.1359 g/mol.
Where can I buy BO 1236?
You can request a quote for BO 1236 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BO 1236?
Yes, CoreyChem provides custom synthesis services for BO 1236 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.