E-1010 free base
TL;DR: E-1010 free base (CAS 312774-20-2) is a chemical compound with molecular formula C19H29N3O5S and molecular weight 411.18 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
Also Known As: E-1010 free base, ER-35786 free base, (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, 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-, (4R,5S,6S)-, (4R,5S,6S)-3-{[(3S,5S)-5-[(R)-hydroxy[(3R)-pyrrolidin-3-yl]methyl]pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
| Molecular Formula | C19H29N3O5S |
|---|---|
| Molecular Weight | 411.18 g/mol |
| LogP | -0.4258 |
| Topological Polar Surface Area | 122.13 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.1828 |
| Heavy Atoms | 28 |
| Complexity | 693.0566 |
Chemical Identifiers
| CAS Number | 312774-20-2 |
|---|---|
| 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 |
Product Overview
E-1010 free base (CAS 312774-20-2), with molecular formula C19H29N3O5S and molecular weight 411.18 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.
Chemical Property Profile of E-1010 free base
Property Insights of E-1010 free base
The XLogP value of -0.4258 indicates that E-1010 free base 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 free base. Following Lipinski's Rule of Five, E-1010 free base 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 free base?
The CAS number of E-1010 free base is 312774-20-2.
What is the molecular formula of E-1010 free base?
The molecular formula of E-1010 free base is C19H29N3O5S.
What is the molecular weight of E-1010 free base?
The molecular weight of E-1010 free base is 411.18 g/mol.
Where can I buy E-1010 free base?
You can request a quote for E-1010 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E-1010 free base?
Yes, KEHONG BIO provides custom synthesis services for E-1010 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.