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CAS 177408-65-0 8-AMINO-7-OXO-NONANOIC ACID HCL molecular structure lightbox
CAS RN: 177408-65-0

8-AMINO-7-OXO-NONANOIC ACID HCL

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250326 1mg In stock Inquiry
Batchno.20250415 5mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260521 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS177408-65-0
  • Purity/Analytical Methods: >99.0%
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177408-65-0 / (8S)-8-amino-7-oxononanoic acid;hydrochloride

Standard CAS: 177408-65-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
177408-65-0
Multi CAS
No
Molecular Formula
C9H18ClNO3
Molecular Weight
223.700000
Exact Mass
223.097521
SMILES
C[C@@H](C(=O)CCCCCC(=O)O)N.Cl
InChI
InChI=1S/C9H17NO3.ClH/c1-7(10)8(11)5-3-2-4-6-9(12)13;/h7H,2-6,10H2,1H3,(H,12,13);1H/t7-;/m0./s1
InChIKey
ZGPOLJARQCHVLY-FJXQXJEOSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.63
TPSA
80.39

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
1.36
Consensus LogP
1.31
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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