D09VHA
TL;DR: D09VHA (CAS 120838-81-5) is a chemical compound with molecular formula C28H27N3O3 and molecular weight 453.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2S)-3-(1-benzhydrylazetidin-3-yl)oxy-2-hydroxypropoxy]-1H-indole-2-carbonitrile
Also Known As: Bdf 9196, 4-[(2S)-3-(1-Benzhydrylazetidin-3-yl)oxy-2-hydroxypropoxy]-1H-indole-2-carbonitrile, 4-[(2S)-3-{[1-(diphenylmethyl)azetidin-3-yl]oxy}-2-hydroxypropoxy]-1H-indole-2-carbonitrile, 4-[(S)-3-[[1-(Diphenylmethyl)azetidin-3-yl]oxy]-2-hydroxypropoxy]-1H-indole-2-carbonitrile
| Molecular Formula | C28H27N3O3 |
|---|---|
| Molecular Weight | 453.21 g/mol |
| LogP | 4.26968 |
| Topological Polar Surface Area | 81.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 453.20523 |
| Heavy Atoms | 34 |
| Complexity | 1221.0559 |
Chemical Identifiers
| CAS Number | 120838-81-5 |
|---|---|
| SMILES | C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)OC[C@@H](COC4=CC=CC5=C4C=C(N5)C#N)O |
Product Overview
D09VHA (CAS 120838-81-5), with molecular formula C28H27N3O3 and molecular weight 453.21 g/mol. IUPAC: 4-[(2S)-3-(1-benzhydrylazetidin-3-yl)oxy-2-hydroxypropoxy]-1H-indole-2-carbonitrile.
Chemical Property Profile of D09VHA
Property Insights of D09VHA
The XLogP value of 4.26968 indicates that D09VHA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.51 Ų falls within the moderate polarity range, balancing permeability and solubility for D09VHA. Following Lipinski's Rule of Five, D09VHA has 2 hydrogen bond donor(s) and 5 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 D09VHA?
The CAS number of D09VHA is 120838-81-5.
What is the molecular formula of D09VHA?
The molecular formula of D09VHA is C28H27N3O3.
What is the molecular weight of D09VHA?
The molecular weight of D09VHA is 453.21 g/mol.
Where can I buy D09VHA?
You can request a quote for D09VHA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D09VHA?
Yes, KEHONG BIO provides custom synthesis services for D09VHA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.