Rauwolscine 4-aminophenylcarboxamide
TL;DR: Rauwolscine 4-aminophenylcarboxamide (CAS 118236-14-9) is a chemical compound with molecular formula C26H30N4O2 and molecular weight 430.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,15S,18S,19S,20S)-N-(4-aminophenyl)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxamide
Also Known As: R-4-Apca, Rauwolscine 4-aminophenylcarboxamide, O-benzyl-N-ethylhydroxylamine, 4-Aminophenylcarboxamide rauwolscine, KST-1A0790
| Molecular Formula | C26H30N4O2 |
|---|---|
| Molecular Weight | 430.24 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 94.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 430.23688 |
| Heavy Atoms | 32 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 118236-14-9 |
|---|---|
| SMILES | C1C[C@@H]([C@H]([C@@H]2[C@H]1CN3CCC4=C([C@@H]3C2)NC5=CC=CC=C45)C(=O)NC6=CC=C(C=C6)N)O |
| InChIKey | YOEFRCOYIGZZEZ-JKSKAUHQSA-N |
Product Overview
Rauwolscine 4-aminophenylcarboxamide (CAS 118236-14-9), with molecular formula C26H30N4O2 and molecular weight 430.24 g/mol. IUPAC: (1S,15S,18S,19S,20S)-N-(4-aminophenyl)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxamide.
Chemical Property Profile of Rauwolscine 4-aminophenylcarboxamide
Property Insights of Rauwolscine 4-aminophenylcarboxamide
The XLogP value of 3.2 indicates that Rauwolscine 4-aminophenylcarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Rauwolscine 4-aminophenylcarboxamide. Following Lipinski's Rule of Five, Rauwolscine 4-aminophenylcarboxamide has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rauwolscine 4-aminophenylcarboxamide?
The CAS number of Rauwolscine 4-aminophenylcarboxamide is 118236-14-9.
What is the molecular formula of Rauwolscine 4-aminophenylcarboxamide?
The molecular formula of Rauwolscine 4-aminophenylcarboxamide is C26H30N4O2.
What is the molecular weight of Rauwolscine 4-aminophenylcarboxamide?
The molecular weight of Rauwolscine 4-aminophenylcarboxamide is 430.24 g/mol.
Where can I buy Rauwolscine 4-aminophenylcarboxamide?
You can request a quote for Rauwolscine 4-aminophenylcarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rauwolscine 4-aminophenylcarboxamide?
Yes, KEHONG BIO provides custom synthesis services for Rauwolscine 4-aminophenylcarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.