C(O)C1c2cc(OC)c(OC)cc2CN3CCc4cc5OCOc5cc4C13
TL;DR: C(O)C1c2cc(OC)c(OC)cc2CN3CCc4cc5OCOc5cc4C13 (CAS 60734-44-3) is a chemical compound with molecular formula C21H23NO5 and molecular weight 369.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,21S)-17,18-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaen-21-yl]methanol
Also Known As: C(O)C1c2cc(OC)c(OC)cc2CN3CCc4cc5OCOc5cc4C13, 5,8,13,13a-Tetrahydro-10,11-dimethoxy-6H-benzo(g)-1,3-benzodioxolo(5,6-a)quinolizine-13-methanol cis-, 6H-Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizine-13-methanol, 5,8,13,13a-tetrahydro-10,11-dimethoxy-, cis-, (10,11-dimethoxy-(13ar)-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-13t-yl)-methanol, (17,18-Dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaen-21-yl)methanol
| Molecular Formula | C21H23NO5 |
|---|---|
| Molecular Weight | 369.16 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.15762 |
| Heavy Atoms | 27 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 60734-44-3 |
|---|---|
| SMILES | COC1=C(C=C2[C@@H]([C@H]3C4=CC5=C(C=C4CCN3CC2=C1)OCO5)CO)OC |
| InChIKey | LITCEGNIEIZOID-HRAATJIYSA-N |
Product Overview
C(O)C1c2cc(OC)c(OC)cc2CN3CCc4cc5OCOc5cc4C13 (CAS 60734-44-3), with molecular formula C21H23NO5 and molecular weight 369.16 g/mol. IUPAC: [(1S,21S)-17,18-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaen-21-yl]methanol.
Chemical Property Profile of C(O)C1c2cc(OC)c(OC)cc2CN3CCc4cc5OCOc5cc4C13
Property Insights of C(O)C1c2cc(OC)c(OC)cc2CN3CCc4cc5OCOc5cc4C13
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C(O)C1c2cc(OC)c(OC)cc2CN3CCc4cc5OCOc5cc4C13. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for C(O)C1c2cc(OC)c(OC)cc2CN3CCc4cc5OCOc5cc4C13. Following Lipinski's Rule of Five, C(O)C1c2cc(OC)c(OC)cc2CN3CCc4cc5OCOc5cc4C13 has 1 hydrogen bond donor(s) and 6 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 C(O)C1c2cc(OC)c(OC)cc2CN3CCc4cc5OCOc5cc4C13?
The CAS number of C(O)C1c2cc(OC)c(OC)cc2CN3CCc4cc5OCOc5cc4C13 is 60734-44-3.
What is the molecular formula of C(O)C1c2cc(OC)c(OC)cc2CN3CCc4cc5OCOc5cc4C13?
The molecular formula of C(O)C1c2cc(OC)c(OC)cc2CN3CCc4cc5OCOc5cc4C13 is C21H23NO5.
What is the molecular weight of C(O)C1c2cc(OC)c(OC)cc2CN3CCc4cc5OCOc5cc4C13?
The molecular weight of C(O)C1c2cc(OC)c(OC)cc2CN3CCc4cc5OCOc5cc4C13 is 369.16 g/mol.
Where can I buy C(O)C1c2cc(OC)c(OC)cc2CN3CCc4cc5OCOc5cc4C13?
You can request a quote for C(O)C1c2cc(OC)c(OC)cc2CN3CCc4cc5OCOc5cc4C13 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C(O)C1c2cc(OC)c(OC)cc2CN3CCc4cc5OCOc5cc4C13?
Yes, KEHONG BIO provides custom synthesis services for C(O)C1c2cc(OC)c(OC)cc2CN3CCc4cc5OCOc5cc4C13 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.