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CAS 130466-38-5 Methanesulfonamide,N-[2-[(2R,12bS)-1,3,4,6,7,12b-hexahydro-2′-oxospiro[2H-benzofuro[2,3-a]quinolizine-2,4′-imidazolidin]-3′-yl]ethyl]-,hydrochloride (1:1) molecular structure lightbox
CAS RN: 130466-38-5

Methanesulfonamide,N-[2-[(2R,12bS)-1,3,4,6,7,12b-hexahydro-2′-oxospiro[2H-benzofuro[2,3-a]quinolizine-2,4′-imidazolidin]-3′-yl]ethyl]-,hydrochloride (1:1)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250213 1mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-037087
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.01g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 130466-38-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.01g >95% 0 Out of Stock Hong Kong Inquiry

130466-38-5 / N-[2-[(2R,12bS)-2'-oxospiro[1,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizine-2,5'-imidazolidine]-1'-yl]ethyl]methanesulfonamide;hydrochloride

Standard CAS: 130466-38-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
130466-38-5
Multi CAS
No
Molecular Formula
C20H27ClN4O4S
Molecular Weight
455.000000
Exact Mass
454.144154
SMILES
CS(=O)(=O)NCCN1C(=O)NC[C@]12CCN3CCC4=C([C@@H]3C2)OC5=CC=CC=C45.Cl
InChI
InChI=1S/C20H26N4O4S.ClH/c1-29(26,27)22-8-11-24-19(25)21-13-20(24)7-10-23-9-6-15-14-4-2-3-5-17(14)28-18(15)16(23)12-20;/h2-5,16,22H,6-13H2,1H3,(H,21,25);1H/t16-,20+;/m0./s1
InChIKey
UTMOWVIYZQWJHT-VASSOYJASA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
9
Fraction Csp3
0.55
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
116.4
TPSA
94.89

LogP / Solubility

WLOGP
1.86
MLOGP
1.67
XLogP3
1.86
Consensus LogP
1.8
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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