![CAS 38075-43-3 (Z)-N-[(5-Chloro-2-hydroxyphenyl)(phenyl)methylene]-L-valine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/38075-43-3.gif)
CAS RN: 38075-43-3
(Z)-N-[(5-Chloro-2-hydroxyphenyl)(phenyl)methylene]-L-valine
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.20251203 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS38075-43-3
- Purity/Analytical Methods: >99.0%
38075-43-3 / (2S)-2-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-3-methylbutanoic acid
Basic Information
CAS
38075-43-3
Multi CAS
Yes
Molecular Formula
C18H18CLNO3
Molecular Weight
331.800000
Exact Mass
331.097521
InChI
InChI=1S/C18H18ClNO3/c1-11(2)16(18(22)23)20-17(12-6-4-3-5-7-12)14-10-13(19)8-9-15(14)21/h3-11,16,21H,1-2H3,(H,22,23)/t16-/m0/s1
InChIKey
QDRACQUNFMXKRD-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
91.46
TPSA
69.89
LogP / Solubility
WLOGP
3.99
MLOGP
3.53
XLogP3
4.8
Consensus LogP
4.11
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
