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CAS 647852-82-2 (R)-SN-38 molecular structure lightbox
CAS RN: 647852-82-2

(R)-SN-38

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Batchno.20260625 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS647852-82-2
  • Purity/Analytical Methods: >99.0%
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647852-82-2 / (19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione

Standard CAS: 647852-82-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
647852-82-2
Multi CAS
Yes
Molecular Formula
C22H20N2O5
Molecular Weight
392.400000
Exact Mass
392.137222
InChI
InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m1/s1
InChIKey
FJHBVJOVLFPMQE-JOCHJYFZSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.32
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
2
Molar refractivity
105.57
TPSA
101.65

LogP / Solubility

WLOGP
2.35
MLOGP
2.09
XLogP3
1.4
Consensus LogP
1.95
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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