CAS RN: 1330277-66-1
HAWSQZCWOQZXHI-CWDCNSFUSA-N
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260220 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1330277-66-1
- Purity/Analytical Methods: >99.0%
1330277-66-1 / (19S)-7,19-dihydroxy-19-(1,1,2,2,2-pentadeuterioethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
Basic Information
CAS
1330277-66-1
Multi CAS
No
Molecular Formula
C20H16N2O5
Molecular Weight
369.400000
Exact Mass
369.137305
SMILES
[2H]C([2H])([2H])C([2H])([2H])[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)O)O
InChI
InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1/i1D3,2D2
InChIKey
HAWSQZCWOQZXHI-CWDCNSFUSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
2
Molar refractivity
96.19
TPSA
101.65
LogP / Solubility
WLOGP
1.79
MLOGP
1.59
XLogP3
0.6
Consensus LogP
1.33
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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