RefChem:326057
TL;DR: RefChem:326057 (CAS 105124-62-7) is a chemical compound with molecular formula C16H21NO3 and molecular weight 275.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S,7S)-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-trien-6-yl]propanoic acid
Also Known As: (E)-2,3,4,4a,5,6,7,11b-Octahydrobenzo(6,7)cyclohept(1,2-b)(1,4)oxazine-4-propionic acid, Benzo(6,7)cyclohept(1,2-b)(1,4)oxazine-4-propionic acid, 2,3,4,4a,5,6,7,11b-octahydro-, (E)-, 3H-1,2,4-Triazolium,4,5-dihydro-3,3-dimethyl-5-oxo-1-phenyl, 3-(2,3,5,6,7,11b-Hexahydrobenzo[6,7]cyclohepta[1,2-b][1,4]oxazin-4(4aH)-yl)propanoic acid, 3-[(4aS,11bS)-2,3,5,6,7,11b-Hexahydrobenzo[6,7]cyclohepta[1,2-b][1,4]oxazin-4(4aH)-yl]propanoic acid
| Molecular Formula | C16H21NO3 |
|---|---|
| Molecular Weight | 275.15 g/mol |
| LogP | 2.2395 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.15213 |
| Heavy Atoms | 20 |
| Complexity | 488.36526 |
Chemical Identifiers
| CAS Number | 105124-62-7 |
|---|---|
| SMILES | C1C[C@H]2[C@H](C3=CC=CC=C3C1)OCCN2CCC(=O)O |
Product Overview
RefChem:326057 (CAS 105124-62-7), with molecular formula C16H21NO3 and molecular weight 275.15 g/mol. IUPAC: 3-[(2S,7S)-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-trien-6-yl]propanoic acid.
Chemical Property Profile of RefChem:326057
Property Insights of RefChem:326057
The XLogP value of 2.2395 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:326057. With a topological polar surface area (TPSA) of 49.77 Ų, RefChem:326057 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:326057 has 1 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:326057?
The CAS number of RefChem:326057 is 105124-62-7.
What is the molecular formula of RefChem:326057?
The molecular formula of RefChem:326057 is C16H21NO3.
What is the molecular weight of RefChem:326057?
The molecular weight of RefChem:326057 is 275.15 g/mol.
Where can I buy RefChem:326057?
You can request a quote for RefChem:326057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326057?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.