RefChem:326054
TL;DR: RefChem:326054 (CAS 105124-44-5) is a chemical compound with molecular formula C13H16ClNO and molecular weight 237.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,7S)-13-chloro-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-triene
Also Known As: (E)-2,3,4,4a,5,6,7,11b-Octahydro-9-chlorobenzo(6,7)cyclohept(1,2-b)(1,4)oxazine, Benzo(6,7)cyclohept(1,2-b)(1,4)oxazine, 2,3,4,4a,5,6,7,11b-octahydro-9-chloro-, (E)-, 9-Chloro-2,3,4,4a,5,6,7,11b-octahydrobenzo[6,7]cyclohepta[1,2-b][1,4]oxazine, (4aS,11bS)-9-Chloro-2,3,4,4a,5,6,7,11b-octahydrobenzo[6,7]cyclohepta[1,2-b][1,4]oxazine, RefChem:326054
| Molecular Formula | C13H16ClNO |
|---|---|
| Molecular Weight | 237.09 g/mol |
| LogP | 2.7058 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 237.09204 |
| Heavy Atoms | 16 |
| Complexity | 393.519 |
Chemical Identifiers
| CAS Number | 105124-44-5 |
|---|---|
| SMILES | C1C[C@H]2[C@H](C3=C(C1)C=C(C=C3)Cl)OCCN2 |
Product Overview
RefChem:326054 (CAS 105124-44-5), with molecular formula C13H16ClNO and molecular weight 237.09 g/mol. IUPAC: (2S,7S)-13-chloro-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-triene.
Chemical Property Profile of RefChem:326054
Property Insights of RefChem:326054
The XLogP value of 2.7058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:326054. With a topological polar surface area (TPSA) of 21.26 Ų, RefChem:326054 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:326054 has 1 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:326054?
The CAS number of RefChem:326054 is 105124-44-5.
What is the molecular formula of RefChem:326054?
The molecular formula of RefChem:326054 is C13H16ClNO.
What is the molecular weight of RefChem:326054?
The molecular weight of RefChem:326054 is 237.09 g/mol.
Where can I buy RefChem:326054?
You can request a quote for RefChem:326054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326054?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.