Aflatrem
TL;DR: Aflatrem (CAS 70553-75-2) is a chemical compound with molecular formula C32H39NO4 and molecular weight 501.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
19-hydroxy-4,5,24,24-tetramethyl-12-(2-methylbut-3-en-2-yl)-25,26-dioxa-7-azaheptacyclo[21.2.1.01,20.04,19.05,16.06,14.08,13]hexacosa-6(14),8,10,12,20-pentaen-22-one
Also Known As: Aflatrem, AFLATREME, 1,1-dimethylallyl-hydroxy-tetramethyl-[?]one, 5b-hydroxy-2,2,13b,13c-tetramethyl-9-(2-methylbut-3-en-2-yl)-2,3,5b,6,7,7a,8,13,13b,13c,14,15-dodecahydro-4h-3,15a-epoxy[1]benzoxepino[6',7':6,7]indeno[1,2-b]indol-4-one, 19-Hydroxy-4,5,24,24-tetramethyl-12-(2-methylbut-3-en-2-yl)-25,26-dioxa-7-azaheptacyclo[21.2.1.01,20.04,19.05,16.06,14.08,13]hexacosa-6(14),8,10,12,20-pentaen-22-one
| Molecular Formula | C32H39NO4 |
|---|---|
| Molecular Weight | 501.29 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 501.2879 |
| Heavy Atoms | 37 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 70553-75-2 |
|---|---|
| SMILES | CC1(C2C(=O)C=C3C4(CCC5CC6=C(C5(C4(CCC3(O2)O1)C)C)NC7=CC=CC(=C67)C(C)(C)C=C)O)C |
| InChIKey | YVDJBQQJIDPRKP-UHFFFAOYSA-N |
Product Overview
Aflatrem (CAS 70553-75-2), with molecular formula C32H39NO4 and molecular weight 501.29 g/mol. IUPAC: 19-hydroxy-4,5,24,24-tetramethyl-12-(2-methylbut-3-en-2-yl)-25,26-dioxa-7-azaheptacyclo[21.2.1.01,20.04,19.05,16.06,14.08,13]hexacosa-6(14),8,10,12,20-pentaen-22-one.
Chemical Property Profile of Aflatrem
Property Insights of Aflatrem
The XLogP value of 5.1 indicates that Aflatrem is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Aflatrem. Following Lipinski's Rule of Five, Aflatrem has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aflatrem?
The CAS number of Aflatrem is 70553-75-2.
What is the molecular formula of Aflatrem?
The molecular formula of Aflatrem is C32H39NO4.
What is the molecular weight of Aflatrem?
The molecular weight of Aflatrem is 501.29 g/mol.
Where can I buy Aflatrem?
You can request a quote for Aflatrem directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aflatrem?
Yes, KEHONG BIO provides custom synthesis services for Aflatrem and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.