RefChem:441877
TL;DR: RefChem:441877 (CAS 191744-13-5) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12R)-4,7,11-trioxa-16-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-trien-17-one
Also Known As: CX614, 2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE, CX6, 2,3,6a,7,8,9-hexahydro-11H-(1,4)dioxino(2,3-g)pyrrolo(2,1-b)(1,3)benzoxazin-11-one, (12R)-4,7,11-trioxa-16-azatetracyclo(8.7.0.03,?.012,1?)heptadeca-1(10),2,8-trien-17-one
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 1.4123 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 527.9677 |
Chemical Identifiers
| CAS Number | 191744-13-5 |
|---|---|
| SMILES | C1C[C@@H]2N(C1)C(=O)C3=CC4=C(C=C3O2)OCCO4 |
Product Overview
RefChem:441877 (CAS 191744-13-5), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: (12R)-4,7,11-trioxa-16-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-trien-17-one.
Chemical Property Profile of RefChem:441877
Property Insights of RefChem:441877
The XLogP value of 1.4123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:441877. With a topological polar surface area (TPSA) of 48.0 Ų, RefChem:441877 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:441877 has 0 hydrogen bond donor(s) and 4 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:441877?
The CAS number of RefChem:441877 is 191744-13-5.
What is the molecular formula of RefChem:441877?
The molecular formula of RefChem:441877 is C13H13NO4.
What is the molecular weight of RefChem:441877?
The molecular weight of RefChem:441877 is 247.08 g/mol.
Where can I buy RefChem:441877?
You can request a quote for RefChem:441877 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:441877?
Yes, KEHONG BIO provides custom synthesis services for RefChem:441877 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.