BMY-21950 free acid, (-)-
TL;DR: BMY-21950 free acid, (-)- (CAS 129785-04-2) 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.
(3S,5R,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, BMY-21950 free acid, (-)-, (-)-BMY-21950, BMS-180431-09 free acid, (-)-, BMY-21950, (-)-
| 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 | 129785-04-2 |
|---|---|
| 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
BMY-21950 free acid, (-)- (CAS 129785-04-2), with molecular formula C23H22F2N4O4 and molecular weight 456.16 g/mol. IUPAC: (3S,5R,6E)-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyltetrazol-5-yl)nona-6,8-dienoic acid.
Chemical Property Profile of BMY-21950 free acid, (-)-
Property Insights of BMY-21950 free acid, (-)-
The XLogP value of 2.5902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BMY-21950 free acid, (-)-. The TPSA of 121.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BMY-21950 free acid, (-)-. Following Lipinski's Rule of Five, BMY-21950 free acid, (-)- 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 BMY-21950 free acid, (-)-?
The CAS number of BMY-21950 free acid, (-)- is 129785-04-2.
What is the molecular formula of BMY-21950 free acid, (-)-?
The molecular formula of BMY-21950 free acid, (-)- is C23H22F2N4O4.
What is the molecular weight of BMY-21950 free acid, (-)-?
The molecular weight of BMY-21950 free acid, (-)- is 456.16 g/mol.
Where can I buy BMY-21950 free acid, (-)-?
You can request a quote for BMY-21950 free acid, (-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BMY-21950 free acid, (-)-?
Yes, KEHONG BIO provides custom synthesis services for BMY-21950 free acid, (-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.