BO 2727
TL;DR: BO 2727 (CAS 178979-96-9) is a chemical compound with molecular formula C18H30ClN3O5S and molecular weight 435.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5S,6R)-6-(1-hydroxyethyl)-3-[(3S,5R)-5-[(1R)-1-hydroxy-3-(methylamino)propyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrochloride
Also Known As: BO 2727, KST-1A2122, KST-1A2123, L 739428, (4r,5s,6r)-6-(1-hydroxyethyl)-3-[(3s,5r)-5-[(1r)-1-hydroxy-3-methylamino-propyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrochloride
| Molecular Formula | C18H30ClN3O5S |
|---|---|
| Molecular Weight | 435.16 g/mol |
| LogP | -0.004 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 435.1595 |
| Heavy Atoms | 28 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 178979-96-9 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2[C@@H](C(=O)N2C(=C1S[C@H]3C[C@@H](NC3)[C@@H](CCNC)O)C(=O)O)C(C)O.Cl |
| InChIKey | LXENODIMLBPDAW-LSIHVOJYSA-N |
Product Overview
BO 2727 (CAS 178979-96-9), with molecular formula C18H30ClN3O5S and molecular weight 435.16 g/mol. IUPAC: (4R,5S,6R)-6-(1-hydroxyethyl)-3-[(3S,5R)-5-[(1R)-1-hydroxy-3-(methylamino)propyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrochloride.
Chemical Property Profile of BO 2727
Property Insights of BO 2727
The XLogP value of -0.004 indicates that BO 2727 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting BO 2727 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BO 2727 has 6 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 BO 2727?
The CAS number of BO 2727 is 178979-96-9.
What is the molecular formula of BO 2727?
The molecular formula of BO 2727 is C18H30ClN3O5S.
What is the molecular weight of BO 2727?
The molecular weight of BO 2727 is 435.16 g/mol.
Where can I buy BO 2727?
You can request a quote for BO 2727 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BO 2727?
Yes, KEHONG BIO provides custom synthesis services for BO 2727 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.