E-1010
TL;DR: E-1010 (CAS 186319-97-1) is a chemical compound with molecular formula C19H30ClN3O5S and molecular weight 447.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[(3S,5S)-5-[(R)-hydroxy-[(3R)-pyrrolidin-3-yl]methyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrochloride
Also Known As: E-1010, Er 35786, 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-((1R)-1-hydroxyethyl)-3-(((3S,5S)-5-((R)-hydroxy(3R)-3-pyrrolidinylmethyl)-3-pyrrolidinyl)thio)-4-methyl-7-oxo-, hydrochloride (1:1), (4R,5S,6S)-, (+)-E-1010, (4R,5S,6S)-6-[(1R)-1-Hydroxyethyl]-3-[(3S,5S)-5-[(R)-hydroxy-[(3R)-pyrrolidin-3-yl]methyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrochloride
| Molecular Formula | C19H30ClN3O5S |
|---|---|
| Molecular Weight | 447.16 g/mol |
| LogP | -0.004 |
| Topological Polar Surface Area | 122.13 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.1595 |
| Heavy Atoms | 29 |
| Complexity | 699.3321 |
Chemical Identifiers
| CAS Number | 186319-97-1 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)[C@@H]([C@@H]4CCNC4)O)C(=O)O)[C@@H](C)O.Cl |
Product Overview
E-1010 (CAS 186319-97-1), with molecular formula C19H30ClN3O5S and molecular weight 447.16 g/mol. IUPAC: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[(3S,5S)-5-[(R)-hydroxy-[(3R)-pyrrolidin-3-yl]methyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrochloride.
Chemical Property Profile of E-1010
Property Insights of E-1010
The XLogP value of -0.004 indicates that E-1010 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.13 Ų falls within the moderate polarity range, balancing permeability and solubility for E-1010. Following Lipinski's Rule of Five, E-1010 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of E-1010?
The CAS number of E-1010 is 186319-97-1.
What is the molecular formula of E-1010?
The molecular formula of E-1010 is C19H30ClN3O5S.
What is the molecular weight of E-1010?
The molecular weight of E-1010 is 447.16 g/mol.
Where can I buy E-1010?
You can request a quote for E-1010 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E-1010?
Yes, KEHONG BIO provides custom synthesis services for E-1010 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.