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CAS 1001015-18-4 CORM-401 molecular structure lightbox
CAS RN: 1001015-18-4

CORM-401

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Batchno.20251225 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1001015-18-4
  • Purity/Analytical Methods: >99.0%
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1001015-18-4 / carbon monoxide;N-(carboxymethyl)-N-methylcarbamodithioate;manganese

CORM-401 | 1001015-18-4 | G16414

Standard CAS: 1001015-18-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1001015-18-4
Multi CAS
Yes
Molecular Formula
C8H6MnNO6S2-
Molecular Weight
331.200000
Exact Mass
330.901697
SMILES
CN(CC(=O)O)C(=S)[S-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn]
InChI
InChI=1S/C4H7NO2S2.4CO.Mn/c1-5(4(8)9)2-3(6)7;4*1-2;/h2H2,1H3,(H,6,7)(H,8,9);;;;;/p-1
InChIKey
BYBYPEYFKXEVIY-UHFFFAOYSA-M
Synonyms
CORM-401 1001015-18-4 G16414

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.95
TPSA
120.14

LogP / Solubility

WLOGP
-0.32
MLOGP
-0.26
XLogP3
-0.32
Consensus LogP
-0.3
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
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)
-4.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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