RefChem:237697
TL;DR: RefChem:237697 (CAS 79931-20-7) 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.
(9S,10S)-10-(methylamino)-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-ol;hydrochloride
Also Known As: 1H-Cyclohept(c,d)indol-6-ol, 3,4,5,6-tetrahydro-5-(methylamino)-, monohydrochloride, trans-(+-)-, Chlorhydrate de R,S-trans 5-methylamino 3,4,5,6-tetrahydro 1H-cyclohept(c,d)indol-6-ol, (5S,6S)-5-(Methylamino)-3,4,5,6-tetrahydro-1H-cyclohepta[cd]indol-6-ol--hydrogen chloride (1/1), RefChem:237697
| Molecular Formula | C13H17ClN2O |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 2.1573 |
| Topological Polar Surface Area | 48.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.10294 |
| Heavy Atoms | 17 |
| Complexity | 523.1139 |
Chemical Identifiers
| CAS Number | 79931-20-7 |
|---|---|
| SMILES | CN[C@H]1CCC2=CNC3=CC=CC(=C23)[C@@H]1O.Cl |
Product Overview
RefChem:237697 (CAS 79931-20-7), with molecular formula C13H17ClN2O and molecular weight 252.10 g/mol. IUPAC: (9S,10S)-10-(methylamino)-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-ol;hydrochloride.
Chemical Property Profile of RefChem:237697
Property Insights of RefChem:237697
The XLogP value of 2.1573 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:237697. With a topological polar surface area (TPSA) of 48.05 Ų, RefChem:237697 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:237697 has 3 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:237697?
The CAS number of RefChem:237697 is 79931-20-7.
What is the molecular formula of RefChem:237697?
The molecular formula of RefChem:237697 is C13H17ClN2O.
What is the molecular weight of RefChem:237697?
The molecular weight of RefChem:237697 is 252.10 g/mol.
Where can I buy RefChem:237697?
You can request a quote for RefChem:237697 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237697?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237697 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.