Janthitrem F
TL;DR: Janthitrem F (CAS 90986-52-0) is a chemical compound with molecular formula C39H51NO7 and molecular weight 645.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,6S,8S,9R,12S,15S,21S,22R)-12,21-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18,20(28),26,29-hexaen-9-yl] acetate
Also Known As: Janthitrem F, Janthitrem E monoacetate, HY-N7222, (2s,3r,4bs,6as,9s,9ar,15bs,15cr,17as)-4b,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10,10,12,12,15b,15c-hexamethyl-3,4b,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-hexadecahydro-2h-chromeno[5',6':6,7]indeno[1,2-b]pyrano[4',3':3,4]cyclopenta[1,2-f]indol-3-yl acetat, (2S,3R,4bS,6aS,9S,9aR,15bS,15cR,17aS)-4b,9-Dihydroxy-2-(2-hydroxypropan-2-yl)-10,10,12,12,15b,15c-hexamethyl-3,4b,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-hexadecahydro-2H-[1]benzopyrano[5',6':6,7]indeno[1,2-b]pyrano[4',3':3,4]cyclopenta[1,2-f]indol-3-yl acetate
| Molecular Formula | C39H51NO7 |
|---|---|
| Molecular Weight | 645.37 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 645.3666 |
| Heavy Atoms | 47 |
| Complexity | 1420.0 |
Chemical Identifiers
| CAS Number | 90986-52-0 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C=C2[C@H](CC[C@]3([C@]2(CC[C@@H]4[C@@]3(C5=C(C4)C6=CC7=C(C=C6N5)C8=CC(OC([C@H]8[C@@H]7O)(C)C)(C)C)C)O)C)O[C@@H]1C(C)(C)O |
| InChIKey | SHMYDSYGDWIPKT-WWVOELFWSA-N |
Product Overview
Janthitrem F (CAS 90986-52-0), with molecular formula C39H51NO7 and molecular weight 645.37 g/mol. IUPAC: [(2S,3R,6S,8S,9R,12S,15S,21S,22R)-12,21-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18,20(28),26,29-hexaen-9-yl] acetate.
Chemical Property Profile of Janthitrem F
Property Insights of Janthitrem F
The XLogP value of 3.1 indicates that Janthitrem F is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Janthitrem F. Following Lipinski's Rule of Five, Janthitrem F has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Janthitrem F?
The CAS number of Janthitrem F is 90986-52-0.
What is the molecular formula of Janthitrem F?
The molecular formula of Janthitrem F is C39H51NO7.
What is the molecular weight of Janthitrem F?
The molecular weight of Janthitrem F is 645.37 g/mol.
Where can I buy Janthitrem F?
You can request a quote for Janthitrem F directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Janthitrem F?
Yes, KEHONG BIO provides custom synthesis services for Janthitrem F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.