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CAS 367968-06-7 (S)-Methyl 2-Bi-((Tert-Butoxycarbonyl)Amino)-5-Hydroxypentanoate molecular structure lightbox
CAS RN: 367968-06-7

(S)-Methyl 2-Bi-((Tert-Butoxycarbonyl)Amino)-5-Hydroxypentanoate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260309 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS367968-06-7
  • Purity/Analytical Methods: >99.0%
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367968-06-7 / methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoate

Standard CAS: 367968-06-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
367968-06-7
Multi CAS
Yes
Molecular Formula
C16H29NO7
Molecular Weight
347.400000
Exact Mass
347.194402
InChI
InChI=1S/C16H29NO7/c1-15(2,3)23-13(20)17(14(21)24-16(4,5)6)11(9-8-10-18)12(19)22-7/h11,18H,8-10H2,1-7H3/t11-/m0/s1
InChIKey
ITXQXPVFCBXNLQ-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.81
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
86.43
TPSA
102.37

LogP / Solubility

WLOGP
2.47
MLOGP
2.19
XLogP3
2.3
Consensus LogP
2.32
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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