罗迪樟碱
TL;DR: 罗迪樟碱 (CAS 6391-97-5) is a chemical compound with molecular formula C38H42N2O6 and molecular weight 622.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
罗迪樟碱
(1R,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol
Also Known As: Rodiasine, 7-O-Methylantioquine, 4-(hydrazinesulfonyl)benzoic acid, N-Hexadecyl-4-methoxy-N-methylbenzothioamide, (1R,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol
| Molecular Formula | C38H42N2O6 |
|---|---|
| Molecular Weight | 622.30 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 622.30426 |
| Heavy Atoms | 46 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 6391-97-5 |
|---|---|
| SMILES | CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC(=C(C=C4)O)C5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC |
| InChIKey | HIQZXOFBXJICTD-IHLOFXLRSA-N |
Product Overview
罗迪樟碱 (CAS 6391-97-5), with molecular formula C38H42N2O6 and molecular weight 622.30 g/mol. IUPAC: (1R,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol.
Chemical Property Profile of 罗迪樟碱
Property Insights of 罗迪樟碱
The XLogP value of 6.4 indicates that 罗迪樟碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 罗迪樟碱. Following Lipinski's Rule of Five, 罗迪樟碱 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 罗迪樟碱?
The CAS number of 罗迪樟碱 is 6391-97-5.
What is the molecular formula of 罗迪樟碱?
The molecular formula of 罗迪樟碱 is C38H42N2O6.
What is the molecular weight of 罗迪樟碱?
The molecular weight of 罗迪樟碱 is 622.30 g/mol.
Where can I buy 罗迪樟碱?
You can request a quote for 罗迪樟碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 罗迪樟碱?
Yes, KEHONG BIO provides custom synthesis services for 罗迪樟碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.