2-Diphenylphosphinylvaleriansaeure
TL;DR: 2-Diphenylphosphinylvaleriansaeure (CAS 7143-44-4) is a chemical compound with molecular formula C27H31NO3 and molecular weight 417.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,7S,10R,11S,14S)-7-hydroxy-10,14-dimethyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-4,15,17,19,21,23-hexaene-23-carboxylic acid
Also Known As: 2-Diphenylphosphinylvaleriansaeure, KST-1A8881, (2s,4ar,4bs,6as,13as,13br)-2-hydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,13,13a,13b,14-dodecahydro-1h-naphtho[2',1':4,5]indeno[1,2-b]quinoline-12-carboxylic acid, (1S,2R,7S,10R,11S,14S)-7-hydroxy-10,14-dimethyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-4,15,17,19,21,23-hexaene-23-carboxylic acid, 2-Hydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,13,13a,13b,14-dodecahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]quinoline-12-carboxylic acid
| Molecular Formula | C27H31NO3 |
|---|---|
| Molecular Weight | 417.23 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 417.2304 |
| Heavy Atoms | 31 |
| Complexity | 793.0 |
Chemical Identifiers
| CAS Number | 7143-44-4 |
|---|---|
| SMILES | C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC5=C(C6=CC=CC=C6N=C54)C(=O)O)C)O |
| InChIKey | ACZYWQWUZBYEPB-POJSLIJUSA-N |
Product Overview
2-Diphenylphosphinylvaleriansaeure (CAS 7143-44-4), with molecular formula C27H31NO3 and molecular weight 417.23 g/mol. IUPAC: (1S,2R,7S,10R,11S,14S)-7-hydroxy-10,14-dimethyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-4,15,17,19,21,23-hexaene-23-carboxylic acid.
Chemical Property Profile of 2-Diphenylphosphinylvaleriansaeure
Property Insights of 2-Diphenylphosphinylvaleriansaeure
The XLogP value of 5.0 indicates that 2-Diphenylphosphinylvaleriansaeure is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Diphenylphosphinylvaleriansaeure. Following Lipinski's Rule of Five, 2-Diphenylphosphinylvaleriansaeure has 2 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 2-Diphenylphosphinylvaleriansaeure?
The CAS number of 2-Diphenylphosphinylvaleriansaeure is 7143-44-4.
What is the molecular formula of 2-Diphenylphosphinylvaleriansaeure?
The molecular formula of 2-Diphenylphosphinylvaleriansaeure is C27H31NO3.
What is the molecular weight of 2-Diphenylphosphinylvaleriansaeure?
The molecular weight of 2-Diphenylphosphinylvaleriansaeure is 417.23 g/mol.
Where can I buy 2-Diphenylphosphinylvaleriansaeure?
You can request a quote for 2-Diphenylphosphinylvaleriansaeure directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Diphenylphosphinylvaleriansaeure?
Yes, KEHONG BIO provides custom synthesis services for 2-Diphenylphosphinylvaleriansaeure and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.