BO 1236
TL;DR: BO 1236 (CAS 105358-77-8) is a chemical compound with molecular formula C26H28N6O9S2 and molecular weight 632.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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)))-
| Molecular Formula | C26H28N6O9S2 |
|---|---|
| Molecular Weight | 632.14 g/mol |
| LogP | -0.7153 |
| Topological Polar Surface Area | 227.8 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 632.1359 |
| Heavy Atoms | 43 |
| Complexity | 1586.6536 |
Chemical Identifiers
| CAS Number | 105358-77-8 |
|---|---|
| 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-] |
Product Overview
BO 1236 (CAS 105358-77-8), with molecular formula C26H28N6O9S2 and molecular weight 632.14 g/mol. IUPAC: (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.
Chemical Property Profile of BO 1236
Property Insights of BO 1236
The XLogP value of -0.7153 indicates that BO 1236 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 227.8 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 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 632.14 g/mol.
Where can I buy BO 1236?
You can request a quote for BO 1236 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BO 1236?
Yes, KEHONG BIO provides custom synthesis services for BO 1236 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.