3H-Oxazolo(3,4-a)pyridine, hexahydro-3-imino-1-(p-tolyl)-, hydrochloride, (Z)-
TL;DR: 3H-Oxazolo(3,4-a)pyridine, hexahydro-3-imino-1-(p-tolyl)-, hydrochloride, (Z)- (CAS 5582-99-0) is a chemical compound with molecular formula C14H19ClN2O and molecular weight 266.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,8aS)-1-(4-methylphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine;hydrochloride
Also Known As: cis-3-Imino-1-(p-tolyl)hexahydro-3H-oxazolo(3,4-a)pyridine hydrochloride, (Z)-Hexahydro-3-imino-1-(p-tolyl)-3H-oxazolo(3,4-a)pyridine hydrochloride, 3H-Oxazolo(3,4-a)pyridine, hexahydro-3-imino-1-(p-tolyl)-, hydrochloride, (Z)-, (1R,8aS)-1-(4-methylphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrochloride, (1R,8aS)-1-(4-Methylphenyl)hexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-3-imine--hydrogen chloride (1/1)
| Molecular Formula | C14H19ClN2O |
|---|---|
| Molecular Weight | 266.12 g/mol |
| LogP | 3.27739 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.1186 |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 5582-99-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)[C@@H]2[C@@H]3CCCCN3C(=N)O2.Cl |
| InChIKey | BMUTUIPUHYOFLT-JHEYCYPBSA-N |
Product Overview
3H-Oxazolo(3,4-a)pyridine, hexahydro-3-imino-1-(p-tolyl)-, hydrochloride, (Z)- (CAS 5582-99-0), with molecular formula C14H19ClN2O and molecular weight 266.12 g/mol. IUPAC: (1R,8aS)-1-(4-methylphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine;hydrochloride.
Chemical Property Profile of 3H-Oxazolo(3,4-a)pyridine, hexahydro-3-imino-1-(p-tolyl)-, hydrochloride, (Z)-
Property Insights of 3H-Oxazolo(3,4-a)pyridine, hexahydro-3-imino-1-(p-tolyl)-, hydrochloride, (Z)-
The XLogP value of 3.27739 indicates that 3H-Oxazolo(3,4-a)pyridine, hexahydro-3-imino-1-(p-tolyl)-, hydrochloride, (Z)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.3 Ų, 3H-Oxazolo(3,4-a)pyridine, hexahydro-3-imino-1-(p-tolyl)-, hydrochloride, (Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Oxazolo(3,4-a)pyridine, hexahydro-3-imino-1-(p-tolyl)-, hydrochloride, (Z)- 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 3H-Oxazolo(3,4-a)pyridine, hexahydro-3-imino-1-(p-tolyl)-, hydrochloride, (Z)-?
The CAS number of 3H-Oxazolo(3,4-a)pyridine, hexahydro-3-imino-1-(p-tolyl)-, hydrochloride, (Z)- is 5582-99-0.
What is the molecular formula of 3H-Oxazolo(3,4-a)pyridine, hexahydro-3-imino-1-(p-tolyl)-, hydrochloride, (Z)-?
The molecular formula of 3H-Oxazolo(3,4-a)pyridine, hexahydro-3-imino-1-(p-tolyl)-, hydrochloride, (Z)- is C14H19ClN2O.
What is the molecular weight of 3H-Oxazolo(3,4-a)pyridine, hexahydro-3-imino-1-(p-tolyl)-, hydrochloride, (Z)-?
The molecular weight of 3H-Oxazolo(3,4-a)pyridine, hexahydro-3-imino-1-(p-tolyl)-, hydrochloride, (Z)- is 266.12 g/mol.
Where can I buy 3H-Oxazolo(3,4-a)pyridine, hexahydro-3-imino-1-(p-tolyl)-, hydrochloride, (Z)-?
You can request a quote for 3H-Oxazolo(3,4-a)pyridine, hexahydro-3-imino-1-(p-tolyl)-, hydrochloride, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Oxazolo(3,4-a)pyridine, hexahydro-3-imino-1-(p-tolyl)-, hydrochloride, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for 3H-Oxazolo(3,4-a)pyridine, hexahydro-3-imino-1-(p-tolyl)-, hydrochloride, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.