LU1PQR90RM
TL;DR: LU1PQR90RM (CAS 129785-03-1) is a chemical compound with molecular formula C23H22F2N4O4 and molecular weight 456.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5S,6E)-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyltetrazol-5-yl)nona-6,8-dienoic acid
Also Known As: (+)-Bmy-21950 free acid, BMS-180431-09 free acid, BMY 180431, BMY-21950 free acid, (+/-)-, EX-A16016
| Molecular Formula | C23H22F2N4O4 |
|---|---|
| Molecular Weight | 456.16 g/mol |
| LogP | 2.5902 |
| Topological Polar Surface Area | 121.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 456.16092 |
| Heavy Atoms | 33 |
| Complexity | 1110.4644 |
Chemical Identifiers
| CAS Number | 129785-03-1 |
|---|---|
| SMILES | CN1C(=NN=N1)C(=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)/C=C/[C@H](C[C@H](CC(=O)O)O)O |
Product Overview
LU1PQR90RM (CAS 129785-03-1), with molecular formula C23H22F2N4O4 and molecular weight 456.16 g/mol. IUPAC: (3R,5S,6E)-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyltetrazol-5-yl)nona-6,8-dienoic acid.
Chemical Property Profile of LU1PQR90RM
Property Insights of LU1PQR90RM
The XLogP value of 2.5902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for LU1PQR90RM. The TPSA of 121.36 Ų falls within the moderate polarity range, balancing permeability and solubility for LU1PQR90RM. Following Lipinski's Rule of Five, LU1PQR90RM has 3 hydrogen bond donor(s) and 6 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 LU1PQR90RM?
The CAS number of LU1PQR90RM is 129785-03-1.
What is the molecular formula of LU1PQR90RM?
The molecular formula of LU1PQR90RM is C23H22F2N4O4.
What is the molecular weight of LU1PQR90RM?
The molecular weight of LU1PQR90RM is 456.16 g/mol.
Where can I buy LU1PQR90RM?
You can request a quote for LU1PQR90RM directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LU1PQR90RM?
Yes, KEHONG BIO provides custom synthesis services for LU1PQR90RM and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.