CN1C(OC)c2cc3OCOc3cc2c4ccc5cc(OC)c(OC)cc5c14
TL;DR: CN1C(OC)c2cc3OCOc3cc2c4ccc5cc(OC)c(OC)cc5c14 (CAS 51116-34-8) is a chemical compound with molecular formula C22H21NO5 and molecular weight 379.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11,16,17-trimethoxy-12-methyl-5,7-dioxa-12-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
Also Known As: CN1C(OC)c2cc3OCOc3cc2c4ccc5cc(OC)c(OC)cc5c14, 2,3,6-Trimethoxy-5-methyl-5,6-dihydro-9H-benzo[c][1,3]dioxolo[4,5-j]phenanthridine, 2,3,6-trimethoxy-5-methyl-5,6-dihydro-benzo[c][1,3]dioxolo[4, Benzo[c][1,5-j]phenanthridine, 5,6-dihydro-2,3,6-trimethoxy-5-methyl-, Benzo[c][1,3]dioxolo[4,5-j]phenanthridine, 5,6-dihydro-2,3, 6-trimethoxy-5-methyl-
| Molecular Formula | C22H21NO5 |
|---|---|
| Molecular Weight | 379.14 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.14197 |
| Heavy Atoms | 28 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 51116-34-8 |
|---|---|
| SMILES | CN1C(C2=CC3=C(C=C2C4=C1C5=CC(=C(C=C5C=C4)OC)OC)OCO3)OC |
| InChIKey | ZEZWWHMLCLUVDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CN1C(OC)c2cc3OCOc3cc2c4ccc5cc(OC)c(OC)cc5c14 (CAS 51116-34-8), with molecular formula C22H21NO5 and molecular weight 379.14 g/mol. IUPAC: 11,16,17-trimethoxy-12-methyl-5,7-dioxa-12-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,14,16,18,20-octaene.
Chemical Property Profile of CN1C(OC)c2cc3OCOc3cc2c4ccc5cc(OC)c(OC)cc5c14
Property Insights of CN1C(OC)c2cc3OCOc3cc2c4ccc5cc(OC)c(OC)cc5c14
The XLogP value of 4.2 indicates that CN1C(OC)c2cc3OCOc3cc2c4ccc5cc(OC)c(OC)cc5c14 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, CN1C(OC)c2cc3OCOc3cc2c4ccc5cc(OC)c(OC)cc5c14 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CN1C(OC)c2cc3OCOc3cc2c4ccc5cc(OC)c(OC)cc5c14 has 0 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 CN1C(OC)c2cc3OCOc3cc2c4ccc5cc(OC)c(OC)cc5c14?
The CAS number of CN1C(OC)c2cc3OCOc3cc2c4ccc5cc(OC)c(OC)cc5c14 is 51116-34-8.
What is the molecular formula of CN1C(OC)c2cc3OCOc3cc2c4ccc5cc(OC)c(OC)cc5c14?
The molecular formula of CN1C(OC)c2cc3OCOc3cc2c4ccc5cc(OC)c(OC)cc5c14 is C22H21NO5.
What is the molecular weight of CN1C(OC)c2cc3OCOc3cc2c4ccc5cc(OC)c(OC)cc5c14?
The molecular weight of CN1C(OC)c2cc3OCOc3cc2c4ccc5cc(OC)c(OC)cc5c14 is 379.14 g/mol.
Where can I buy CN1C(OC)c2cc3OCOc3cc2c4ccc5cc(OC)c(OC)cc5c14?
You can request a quote for CN1C(OC)c2cc3OCOc3cc2c4ccc5cc(OC)c(OC)cc5c14 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CN1C(OC)c2cc3OCOc3cc2c4ccc5cc(OC)c(OC)cc5c14?
Yes, KEHONG BIO provides custom synthesis services for CN1C(OC)c2cc3OCOc3cc2c4ccc5cc(OC)c(OC)cc5c14 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.