![Cis-6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione hydrochloride structure](/static/products/313/313639-98-4.png)
Cis-6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione hydrochloride
TL;DR: Cis-6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione hydrochloride (CAS 313639-98-4) is a chemical compound with molecular formula C14H17ClN2O2 and molecular weight 280.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,7aR)-6-benzyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione;hydrochloride
Also Known As: (1S,6R)-8-benzyl-5,8-diazabicyclo[4.3.0]nonane-7,9-dione Hydrochloride, Cis-6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione hydrochloride, (4AS,7aR)-6-benzylhexahydro-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione hydrochloride
| Molecular Formula | C14H17ClN2O2 |
|---|---|
| Molecular Weight | 280.10 g/mol |
| LogP | 1.3454 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.09787 |
| Heavy Atoms | 19 |
| Complexity | 453.59412 |
Chemical Identifiers
| CAS Number | 313639-98-4 |
|---|---|
| SMILES | C1C[C@H]2[C@H](C(=O)N(C2=O)CC3=CC=CC=C3)NC1.Cl |
Product Overview
Cis-6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione hydrochloride (CAS 313639-98-4), with molecular formula C14H17ClN2O2 and molecular weight 280.10 g/mol. IUPAC: (4aS,7aR)-6-benzyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione;hydrochloride.
Chemical Property Profile of Cis-6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione hydrochloride
Property Insights of Cis-6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione hydrochloride
The XLogP value of 1.3454 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cis-6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione hydrochloride. With a topological polar surface area (TPSA) of 49.41 Ų, Cis-6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cis-6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione hydrochloride has 1 hydrogen bond donor(s) and 3 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 Cis-6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione hydrochloride?
The CAS number of Cis-6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione hydrochloride is 313639-98-4.
What is the molecular formula of Cis-6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione hydrochloride?
The molecular formula of Cis-6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione hydrochloride is C14H17ClN2O2.
What is the molecular weight of Cis-6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione hydrochloride?
The molecular weight of Cis-6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione hydrochloride is 280.10 g/mol.
Where can I buy Cis-6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione hydrochloride?
You can request a quote for Cis-6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cis-6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Cis-6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.