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CAS 608512-87-4 FMOC-D-SER(AC)-OH molecular structure lightbox
CAS RN: 608512-87-4

FMOC-D-SER(AC)-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250119 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS608512-87-4
  • Purity/Analytical Methods: >99.0%
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608512-87-4 / (2R)-3-acetyloxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Standard CAS: 608512-87-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
608512-87-4
Multi CAS
Yes
Molecular Formula
C20H19NO6
Molecular Weight
369.400000
Exact Mass
369.121237
InChI
InChI=1S/C20H19NO6/c1-12(22)26-11-18(19(23)24)21-20(25)27-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-11H2,1H3,(H,21,25)(H,23,24)/t18-/m1/s1
InChIKey
HSGIKRPBGCJRDB-GOSISDBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
96.26
TPSA
101.93

LogP / Solubility

WLOGP
2.54
MLOGP
2.26
XLogP3
2.6
Consensus LogP
2.47
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
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)
-3.17

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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