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CAS 82473-24-3 3-[(3-Cholamidopropyl)dimethylammonio]-2-hydroxy-1-propanesulfonate, 99%生物技术级 molecular structure lightbox
CAS RN: 82473-24-3

3-[(3-Cholamidopropyl)dimethylammonio]-2-hydroxy-1-propanesulfonate, 99%生物技术级

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3 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250921 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260304 200mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250327 100mg / 500mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: LINC6304
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82473-24-3 / 3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azaniumyl]-2-hydroxypropane-1-sulfonate

Standard CAS: 82473-24-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82473-24-3
Multi CAS
Yes
Molecular Formula
C32H58N2O8S
Molecular Weight
630.900000
Exact Mass
630.391388
InChI
InChI=1S/C32H58N2O8S/c1-20(7-10-29(39)33-13-6-14-34(4,5)18-23(36)19-43(40,41)42)24-8-9-25-30-26(17-28(38)32(24,25)3)31(2)12-11-22(35)15-21(31)16-27(30)37/h20-28,30,35-38H,6-19H2,1-5H3,(H-,33,39,40,41,42)/t20-,21+,22-,23?,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1
InChIKey
GUQQBLRVXOUDTN-XOHPMCGNSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Fraction Csp3
0.97
Rotatable bonds
12
H-bond acceptors
8
H-bond donors
5
Molar refractivity
162.44
TPSA
167.22

LogP / Solubility

WLOGP
1.85
MLOGP
1.68
XLogP3
1.9
Consensus LogP
1.81
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.74
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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