12'-Hydroxystrychnobiline
TL;DR: 12'-Hydroxystrychnobiline (CAS 71610-50-9) is a chemical compound with molecular formula C40H46N4O3 and molecular weight 630.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[12-ethylidene-10-(14-ethylidene-10-oxa-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6-trien-9-yl)-6-hydroxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5-trien-8-yl]ethanone
Also Known As: Zingiberenin B, 12'-Hydroxystrychnobiline, ISOSTRYCHNOBILINE, 12'-HYDROXY-, 1-[12-Ethylidene-6-(14-ethylidene-2,3,11a,12,13,13a-hexahydro-9H,11H,11bH-1,12-ethano[1,3]oxazino[3,4,5-lm]pyrrolo[2,3-d]carbazol-9-yl)-8-hydroxy-1,2,4,5,6,6a-hexahydro-3,5-ethanopyrrolo[2,3-d]carbazol-7(3aH)-yl]ethan-1-one, 17-Norcuran-12-ol, 1-acetyl-19,20-didehydro-16-((10alpha,13beta)-23-deoxy-11-oxa-12,24-secostrychnidin-10-yl)-, (16alpha,19E)-
| Molecular Formula | C40H46N4O3 |
|---|---|
| Molecular Weight | 630.36 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 630.357 |
| Heavy Atoms | 47 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 71610-50-9 |
|---|---|
| SMILES | CC=C1CN2CCC34C2CC1C5C3N(C(OC5)C6C7CC8C9(C6N(C1=C9C=CC=C1O)C(=O)C)CCN8CC7=CC)C1=CC=CC=C41 |
| InChIKey | YQRWCHPSAPRFOS-UHFFFAOYSA-N |
Product Overview
12'-Hydroxystrychnobiline (CAS 71610-50-9), with molecular formula C40H46N4O3 and molecular weight 630.36 g/mol. IUPAC: 1-[12-ethylidene-10-(14-ethylidene-10-oxa-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6-trien-9-yl)-6-hydroxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5-trien-8-yl]ethanone.
Chemical Property Profile of 12'-Hydroxystrychnobiline
Property Insights of 12'-Hydroxystrychnobiline
The XLogP value of 4.2 indicates that 12'-Hydroxystrychnobiline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.5 Ų, 12'-Hydroxystrychnobiline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12'-Hydroxystrychnobiline has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12'-Hydroxystrychnobiline?
The CAS number of 12'-Hydroxystrychnobiline is 71610-50-9.
What is the molecular formula of 12'-Hydroxystrychnobiline?
The molecular formula of 12'-Hydroxystrychnobiline is C40H46N4O3.
What is the molecular weight of 12'-Hydroxystrychnobiline?
The molecular weight of 12'-Hydroxystrychnobiline is 630.36 g/mol.
Where can I buy 12'-Hydroxystrychnobiline?
You can request a quote for 12'-Hydroxystrychnobiline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12'-Hydroxystrychnobiline?
Yes, KEHONG BIO provides custom synthesis services for 12'-Hydroxystrychnobiline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.