RefChem:1060305
TL;DR: RefChem:1060305 (CAS 56675-15-1) is a chemical compound with molecular formula C14H20ClNO and molecular weight 253.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,9R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride
Also Known As: KST-1A6225, Ro 2-3299, 6-Butyl-6,7-dihydro-5H-dibenz(c,e)azepine, 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,6-dimethyl-, hydrochloride, 5H-Dibenz(c,e)azepine, 6,7-dihydro-6-butyl-
| Molecular Formula | C14H20ClNO |
|---|---|
| Molecular Weight | 253.12 g/mol |
| LogP | 2.72 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 253.12334 |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 56675-15-1 |
|---|---|
| SMILES | C[C@]12CCN([C@H](C1)CC3=C2C=C(C=C3)O)C.Cl |
| InChIKey | LLSUMAKRNXEYKH-XCBLFTOQSA-N |
Product Overview
RefChem:1060305 (CAS 56675-15-1), with molecular formula C14H20ClNO and molecular weight 253.12 g/mol. IUPAC: (1S,9R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride.
Chemical Property Profile of RefChem:1060305
Property Insights of RefChem:1060305
The XLogP value of 2.72 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1060305. With a topological polar surface area (TPSA) of 23.5 Ų, RefChem:1060305 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1060305 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:1060305?
The CAS number of RefChem:1060305 is 56675-15-1.
What is the molecular formula of RefChem:1060305?
The molecular formula of RefChem:1060305 is C14H20ClNO.
What is the molecular weight of RefChem:1060305?
The molecular weight of RefChem:1060305 is 253.12 g/mol.
Where can I buy RefChem:1060305?
You can request a quote for RefChem:1060305 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1060305?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1060305 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.