DA 1131
TL;DR: DA 1131 (CAS 169285-98-7) is a chemical compound with molecular formula C18H27N3O6S2 and molecular weight 445.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5S)-6-(1-hydroxyethyl)-3-[(3S,5S)-5-[(E)-3-(methanesulfonamido)prop-1-enyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Also Known As: Da 1131, (4R,5S)-6-(1-hydroxyethyl)-3-[(3S,5S)-5-[(E)-3-(methanesulfonamido)prop-1-enyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 2-(3-methanesulfonylamino-1-propenyl)pyrrolidin-4-ylthiol-6-(1-hydroxyethyl)-1-methyl-1-carbapen-2-em-3-carboxylic acid, (4R,5S)-6-(1-hydroxyethyl)-4-methyl-3-(((3S,5S)-5-((E)-3-(methylsulfonamido)prop-1-en-1-yl)pyrrolidin-3-yl)thio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid,6-[(1R)-1-hydroxyethyl]-4-methyl-3-[[(3S,5S)-5-[(1E)-3-[(methylsulfonyl)amino]-1-propen-1-yl]-3-pyrrolidinyl]thio]-7-oxo-,(4R,5S,6S)-
| Molecular Formula | C18H27N3O6S2 |
|---|---|
| Molecular Weight | 445.13 g/mol |
| LogP | -0.2908 |
| Topological Polar Surface Area | 136.04 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.13412 |
| Heavy Atoms | 29 |
| Complexity | 853.6578 |
Chemical Identifiers
| CAS Number | 169285-98-7 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2C(C(=O)N2C(=C1S[C@H]3C[C@H](NC3)/C=C/CNS(=O)(=O)C)C(=O)O)C(C)O |
Product Overview
DA 1131 (CAS 169285-98-7), with molecular formula C18H27N3O6S2 and molecular weight 445.13 g/mol. IUPAC: (4R,5S)-6-(1-hydroxyethyl)-3-[(3S,5S)-5-[(E)-3-(methanesulfonamido)prop-1-enyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
Chemical Property Profile of DA 1131
Property Insights of DA 1131
The XLogP value of -0.2908 indicates that DA 1131 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 136.04 Ų falls within the moderate polarity range, balancing permeability and solubility for DA 1131. Following Lipinski's Rule of Five, DA 1131 has 4 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 DA 1131?
The CAS number of DA 1131 is 169285-98-7.
What is the molecular formula of DA 1131?
The molecular formula of DA 1131 is C18H27N3O6S2.
What is the molecular weight of DA 1131?
The molecular weight of DA 1131 is 445.13 g/mol.
Where can I buy DA 1131?
You can request a quote for DA 1131 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DA 1131?
Yes, KEHONG BIO provides custom synthesis services for DA 1131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.