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CAS 94841-17-5 Spirapril hydrochloride molecular structure lightbox
CAS RN: 94841-17-5

Spirapril hydrochloride

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260228 100mg In stock Shanghai Inquiry
Batchno.20251019 10mg In stock Shanghai Inquiry
Batchno.20251221 250mg In stock Shanghai Inquiry
Batchno.20250515 25mg In stock Shanghai Inquiry
Batchno.20250605 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS94841-17-5
  • Purity/Analytical Methods: >99.0%
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94841-17-5 / (8S)-7-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid;hydrochloride

Standard CAS: 94841-17-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
94841-17-5
Multi CAS
Yes
Molecular Formula
C22H31CLN2O5S2
Molecular Weight
503.100000
Exact Mass
502.136292
InChI
InChI=1S/C22H30N2O5S2.ClH/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27;/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27);1H/t15-,17-,18-;/m0./s1
InChIKey
CLDOLNORSLLQDI-OOAIBONUSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
2
Molar refractivity
130.43
TPSA
95.94

LogP / Solubility

WLOGP
2.81
MLOGP
2.51
XLogP3
2.81
Consensus LogP
2.71
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.34
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-3.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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