1-Phenylhexahydro-3H-(1,3)oxazolo(3,4-a)pyridin-3-imine--hydrogen chloride (1/1)
TL;DR: 1-Phenylhexahydro-3H-(1,3)oxazolo(3,4-a)pyridin-3-imine--hydrogen chloride (1/1) (CAS 75343-55-4) is a chemical compound with molecular formula C13H17ClN2O and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,8aR)-1-phenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine;hydrochloride
Also Known As: (+)-trans-3-Imino-1-phenylhexahydro-3H-oxazolo(3,4-a)pyridine hydrochloride, 3H-Oxazolo(3,4-a)pyridine, hexahydro-3-imino-1-phenyl-, hydrochloride (E)-(+)-, (+-)-trans-3-Imino-1-phenylhexahydro-3H-oxazolo(3,4-a)pyridine hydrochloride, 3H-Oxazolo(3,4-a)pyridine, hexahydro-3-imino-1-phenyl-, hydrochloride (E)-(+-)-, 1-Phenylhexahydro-3H-(1,3)oxazolo(3,4-a)pyridin-3-imine--hydrogen chloride (1/1)
| Molecular Formula | C13H17ClN2O |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 2.96897 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.10294 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 75343-55-4 |
|---|---|
| SMILES | C1CCN2[C@H](C1)[C@H](OC2=N)C3=CC=CC=C3.Cl |
| InChIKey | IGGNNRSCDQALLP-MNMPKAIFSA-N |
Product Overview
1-Phenylhexahydro-3H-(1,3)oxazolo(3,4-a)pyridin-3-imine--hydrogen chloride (1/1) (CAS 75343-55-4), with molecular formula C13H17ClN2O and molecular weight 252.10 g/mol. IUPAC: (1R,8aR)-1-phenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine;hydrochloride.
Chemical Property Profile of 1-Phenylhexahydro-3H-(1,3)oxazolo(3,4-a)pyridin-3-imine--hydrogen chloride (1/1)
Property Insights of 1-Phenylhexahydro-3H-(1,3)oxazolo(3,4-a)pyridin-3-imine--hydrogen chloride (1/1)
The XLogP value of 2.96897 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenylhexahydro-3H-(1,3)oxazolo(3,4-a)pyridin-3-imine--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 36.3 Ų, 1-Phenylhexahydro-3H-(1,3)oxazolo(3,4-a)pyridin-3-imine--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenylhexahydro-3H-(1,3)oxazolo(3,4-a)pyridin-3-imine--hydrogen chloride (1/1) has 2 hydrogen bond donor(s) and 2 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 1-Phenylhexahydro-3H-(1,3)oxazolo(3,4-a)pyridin-3-imine--hydrogen chloride (1/1)?
The CAS number of 1-Phenylhexahydro-3H-(1,3)oxazolo(3,4-a)pyridin-3-imine--hydrogen chloride (1/1) is 75343-55-4.
What is the molecular formula of 1-Phenylhexahydro-3H-(1,3)oxazolo(3,4-a)pyridin-3-imine--hydrogen chloride (1/1)?
The molecular formula of 1-Phenylhexahydro-3H-(1,3)oxazolo(3,4-a)pyridin-3-imine--hydrogen chloride (1/1) is C13H17ClN2O.
What is the molecular weight of 1-Phenylhexahydro-3H-(1,3)oxazolo(3,4-a)pyridin-3-imine--hydrogen chloride (1/1)?
The molecular weight of 1-Phenylhexahydro-3H-(1,3)oxazolo(3,4-a)pyridin-3-imine--hydrogen chloride (1/1) is 252.10 g/mol.
Where can I buy 1-Phenylhexahydro-3H-(1,3)oxazolo(3,4-a)pyridin-3-imine--hydrogen chloride (1/1)?
You can request a quote for 1-Phenylhexahydro-3H-(1,3)oxazolo(3,4-a)pyridin-3-imine--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylhexahydro-3H-(1,3)oxazolo(3,4-a)pyridin-3-imine--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylhexahydro-3H-(1,3)oxazolo(3,4-a)pyridin-3-imine--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.