RefChem:311410
TL;DR: RefChem:311410 (CAS 77291-63-5) is a chemical compound with molecular formula C14H17ClN2O and molecular weight 264.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-3-oxa-11-aza-6-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene chloride
Also Known As: (6-aRs,10-ars)-4,6,6a,8,9,10a-hexahydro-7-methyl-7H-indolo(3,4-gh)(1,4)benzoxazine HCl, 7H-Indolo(3,4-gh)(1,4)benzoxazine, 4,6,6a,8,9,10a-hexahydro-7-methyl-, monohydrochloride, (+-)-, (6-ars,10-ars)-, 7H-INDOLO(3,4-gh)(1,4)BENZOXAZINE, 4,6,6a,8,9,10a-HEXAHYDRO-7-METHYL-, MONOHYDRO, RefChem:311410
| Molecular Formula | C14H17ClN2O |
|---|---|
| Molecular Weight | 264.10 g/mol |
| LogP | -2.32 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 264.10294 |
| Heavy Atoms | 18 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 77291-63-5 |
|---|---|
| SMILES | C[NH+]1CCOC2C1CC3=CNC4=CC=CC2=C34.[Cl-] |
| InChIKey | FWEXZHXZOSCEPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:311410 (CAS 77291-63-5), with molecular formula C14H17ClN2O and molecular weight 264.10 g/mol. IUPAC: 6-methyl-3-oxa-11-aza-6-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene chloride.
Chemical Property Profile of RefChem:311410
Property Insights of RefChem:311410
The XLogP value of -2.32 indicates that RefChem:311410 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:311410 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:311410 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 RefChem:311410?
The CAS number of RefChem:311410 is 77291-63-5.
What is the molecular formula of RefChem:311410?
The molecular formula of RefChem:311410 is C14H17ClN2O.
What is the molecular weight of RefChem:311410?
The molecular weight of RefChem:311410 is 264.10 g/mol.
Where can I buy RefChem:311410?
You can request a quote for RefChem:311410 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:311410?
Yes, KEHONG BIO provides custom synthesis services for RefChem:311410 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.