5-DPHPA
TL;DR: 5-DPHPA (CAS 96036-10-1) is a chemical compound with molecular formula C15H21N3O5S2 and molecular weight 387.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Also Known As: Sid 702602, (5-Dimethylaminocarbonylpyrrolidin-3-ylthio)-6-(1-hydroxyethyl)penem-3-carboxylic acid, (5R,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, (5R,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 4-Thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((5-((dimethylamino)carbonyl)-3-pyrrolidinyl)thio)-6-(1-hydroxyethyl)-7-oxo-, (5R-(3(3S*,5S*),5-alpha,6-alpha(R*)))-
| Molecular Formula | C15H21N3O5S2 |
|---|---|
| Molecular Weight | 387.09 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.09225 |
| Heavy Atoms | 25 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 96036-10-1 |
|---|---|
| SMILES | C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)O |
| InChIKey | OMSJJBDAJCLUCT-WDQDWKLCSA-N |
Product Overview
5-DPHPA (CAS 96036-10-1), with molecular formula C15H21N3O5S2 and molecular weight 387.09 g/mol. IUPAC: (5R,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
Chemical Property Profile of 5-DPHPA
Property Insights of 5-DPHPA
The XLogP value of -2.1 indicates that 5-DPHPA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting 5-DPHPA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-DPHPA has 3 hydrogen bond donor(s) and 8 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 5-DPHPA?
The CAS number of 5-DPHPA is 96036-10-1.
What is the molecular formula of 5-DPHPA?
The molecular formula of 5-DPHPA is C15H21N3O5S2.
What is the molecular weight of 5-DPHPA?
The molecular weight of 5-DPHPA is 387.09 g/mol.
Where can I buy 5-DPHPA?
You can request a quote for 5-DPHPA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-DPHPA?
Yes, KEHONG BIO provides custom synthesis services for 5-DPHPA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.