N-Desmethylthalrugosidine
TL;DR: N-Desmethylthalrugosidine (CAS 74683-04-8) is a chemical compound with molecular formula C37H40N2O7 and molecular weight 624.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,22S)-10,11,16,27-tetramethoxy-4-methyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.114,18.124,28.03,8.07,12.022,36]hexatriaconta-1(33),7(12),8,10,14(36),15,17,24(35),25,27,30(34),31-dodecaen-15-ol
Also Known As: N-Desmethylthalrugosidine, Northalrugosidine, N2-Demethylthalrugosidine, Thalidasan-7-ol, 6,6',7',12-tetramethoxy-2'-methyl-, Thalidasan-7-ol, 6,6,7,12-tetramethoxy-2-methyl-
| Molecular Formula | C37H40N2O7 |
|---|---|
| Molecular Weight | 624.28 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 624.28357 |
| Heavy Atoms | 46 |
| Complexity | 981.0 |
Chemical Identifiers
| CAS Number | 74683-04-8 |
|---|---|
| SMILES | CN1CCC2=C3C(=C(C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6)OC)O)OC)OC)OC |
| InChIKey | MSEKZZNGEVAPPO-NSOVKSMOSA-N |
Product Overview
N-Desmethylthalrugosidine (CAS 74683-04-8), with molecular formula C37H40N2O7 and molecular weight 624.28 g/mol. IUPAC: (3S,22S)-10,11,16,27-tetramethoxy-4-methyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.114,18.124,28.03,8.07,12.022,36]hexatriaconta-1(33),7(12),8,10,14(36),15,17,24(35),25,27,30(34),31-dodecaen-15-ol.
Chemical Property Profile of N-Desmethylthalrugosidine
Property Insights of N-Desmethylthalrugosidine
The XLogP value of 5.8 indicates that N-Desmethylthalrugosidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Desmethylthalrugosidine. Following Lipinski's Rule of Five, N-Desmethylthalrugosidine has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Desmethylthalrugosidine?
The CAS number of N-Desmethylthalrugosidine is 74683-04-8.
What is the molecular formula of N-Desmethylthalrugosidine?
The molecular formula of N-Desmethylthalrugosidine is C37H40N2O7.
What is the molecular weight of N-Desmethylthalrugosidine?
The molecular weight of N-Desmethylthalrugosidine is 624.28 g/mol.
Where can I buy N-Desmethylthalrugosidine?
You can request a quote for N-Desmethylthalrugosidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desmethylthalrugosidine?
Yes, KEHONG BIO provides custom synthesis services for N-Desmethylthalrugosidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.