![CAS 366491-49-8 (2S)-4-Amino-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]butanoic acid hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/366491-49-8(2).gif)
CAS RN: 366491-49-8
(2S)-4-Amino-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]butanoic acid hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251016 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS366491-49-8
- Purity/Analytical Methods: >99.0%
366491-49-8 / (2S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;hydrochloride
Basic Information
CAS
366491-49-8
Multi CAS
Yes
Molecular Formula
C19H21CLN2O4
Molecular Weight
376.800000
Exact Mass
376.118985
InChI
InChI=1S/C19H20N2O4.ClH/c20-10-9-17(18(22)23)21-19(24)25-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16;/h1-8,16-17H,9-11,20H2,(H,21,24)(H,22,23);1H/t17-;/m0./s1
InChIKey
QCZJZMPLVCKMOE-LMOVPXPDSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
100.55
TPSA
101.65
LogP / Solubility
WLOGP
2.75
MLOGP
2.44
XLogP3
2.75
Consensus LogP
2.65
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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