![2t-hydroxymethyl-(12br)-1,3,4,6,7,12b-hexahydro-2H-[1,3]diox structure](/static/products/7162/71622-31-6.webp)
2t-hydroxymethyl-(12br)-1,3,4,6,7,12b-hexahydro-2H-[1,3]diox
TL;DR: 2t-hydroxymethyl-(12br)-1,3,4,6,7,12b-hexahydro-2H-[1,3]diox (CAS 71622-31-6) is a chemical compound with molecular formula C16H19NO4 and molecular weight 289.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7,17-trioxa-13-azapentacyclo[11.7.0.02,10.04,8.015,19]icosa-2,4(8),9-trien-16-ol
Also Known As: 2t-hydroxymethyl-(12br)-1,3,4,6,7,12b-hexahydro-2H-[1,3]diox, 5,6,8a,9,11,11a,12,12a-Octahydro-2H,8H-[1,3]dioxolo[4,5-g]furo[3',4':4,5]pyrido[2,1-a]isoquinolin-9-ol, 5,7,17-Trioxa-13-azapentacyclo[11.7.0.02,10.04,8.015,19]icosa-2,4(8),9-trien-16-ol
| Molecular Formula | C16H19NO4 |
|---|---|
| Molecular Weight | 289.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 289.1314 |
| Heavy Atoms | 21 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 71622-31-6 |
|---|---|
| SMILES | C1CN2CC3C(CC2C4=CC5=C(C=C41)OCO5)COC3O |
| InChIKey | QCCJRPAOHIGWSI-UHFFFAOYSA-N |
Product Overview
2t-hydroxymethyl-(12br)-1,3,4,6,7,12b-hexahydro-2H-[1,3]diox (CAS 71622-31-6), with molecular formula C16H19NO4 and molecular weight 289.13 g/mol. IUPAC: 5,7,17-trioxa-13-azapentacyclo[11.7.0.02,10.04,8.015,19]icosa-2,4(8),9-trien-16-ol.
Chemical Property Profile of 2t-hydroxymethyl-(12br)-1,3,4,6,7,12b-hexahydro-2H-[1,3]diox
Property Insights of 2t-hydroxymethyl-(12br)-1,3,4,6,7,12b-hexahydro-2H-[1,3]diox
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2t-hydroxymethyl-(12br)-1,3,4,6,7,12b-hexahydro-2H-[1,3]diox. With a topological polar surface area (TPSA) of 51.2 Ų, 2t-hydroxymethyl-(12br)-1,3,4,6,7,12b-hexahydro-2H-[1,3]diox exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2t-hydroxymethyl-(12br)-1,3,4,6,7,12b-hexahydro-2H-[1,3]diox has 1 hydrogen bond donor(s) and 5 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 2t-hydroxymethyl-(12br)-1,3,4,6,7,12b-hexahydro-2H-[1,3]diox?
The CAS number of 2t-hydroxymethyl-(12br)-1,3,4,6,7,12b-hexahydro-2H-[1,3]diox is 71622-31-6.
What is the molecular formula of 2t-hydroxymethyl-(12br)-1,3,4,6,7,12b-hexahydro-2H-[1,3]diox?
The molecular formula of 2t-hydroxymethyl-(12br)-1,3,4,6,7,12b-hexahydro-2H-[1,3]diox is C16H19NO4.
What is the molecular weight of 2t-hydroxymethyl-(12br)-1,3,4,6,7,12b-hexahydro-2H-[1,3]diox?
The molecular weight of 2t-hydroxymethyl-(12br)-1,3,4,6,7,12b-hexahydro-2H-[1,3]diox is 289.13 g/mol.
Where can I buy 2t-hydroxymethyl-(12br)-1,3,4,6,7,12b-hexahydro-2H-[1,3]diox?
You can request a quote for 2t-hydroxymethyl-(12br)-1,3,4,6,7,12b-hexahydro-2H-[1,3]diox directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2t-hydroxymethyl-(12br)-1,3,4,6,7,12b-hexahydro-2H-[1,3]diox?
Yes, KEHONG BIO provides custom synthesis services for 2t-hydroxymethyl-(12br)-1,3,4,6,7,12b-hexahydro-2H-[1,3]diox and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.