RefChem:326042
TL;DR: RefChem:326042 (CAS 105124-41-2) is a chemical compound with molecular formula C13H18ClNO2 and molecular weight 255.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,7S)-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-trien-13-ol;hydrochloride
Also Known As: (E)-2,3,4,4a,5,6,7,11b-Octahydrobenzo(6,7)cyclohept(1,2-b)(1,4)oxazin-9-ol hydrochloride, Benzo(6,7)cyclohept(1,2-b)(1,4)oxazin-9-ol, 2,3,4,4a,5,6,7,11b-octahydro-, hydrochloride, (E)-, (4aS,11bS)-2,3,4,4a,5,6,7,11b-Octahydrobenzo[6,7]cyclohepta[1,2-b][1,4]oxazin-9-ol--hydrogen chloride (1/1), 2,3,4,4a,5,6,7,11b-Octahydrobenzo[6,7]cyclohepta[1,2-b][1,4]oxazin-9-ol--hydrogen chloride (1/1), RefChem:326042
| Molecular Formula | C13H18ClNO2 |
|---|---|
| Molecular Weight | 255.10 g/mol |
| LogP | 2.1798 |
| Topological Polar Surface Area | 41.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 255.1026 |
| Heavy Atoms | 17 |
| Complexity | 397.0059 |
Chemical Identifiers
| CAS Number | 105124-41-2 |
|---|---|
| SMILES | C1C[C@H]2[C@H](C3=C(C1)C=C(C=C3)O)OCCN2.Cl |
Product Overview
RefChem:326042 (CAS 105124-41-2), with molecular formula C13H18ClNO2 and molecular weight 255.10 g/mol. IUPAC: (2S,7S)-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-trien-13-ol;hydrochloride.
Chemical Property Profile of RefChem:326042
Property Insights of RefChem:326042
The XLogP value of 2.1798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:326042. With a topological polar surface area (TPSA) of 41.49 Ų, RefChem:326042 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:326042 has 2 hydrogen bond donor(s) and 3 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:326042?
The CAS number of RefChem:326042 is 105124-41-2.
What is the molecular formula of RefChem:326042?
The molecular formula of RefChem:326042 is C13H18ClNO2.
What is the molecular weight of RefChem:326042?
The molecular weight of RefChem:326042 is 255.10 g/mol.
Where can I buy RefChem:326042?
You can request a quote for RefChem:326042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326042?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.