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CAS 70241-09-7 (13S,14R,22R,25S)-1,15-Dioxo-5-chloro-6β,13,20,22-tetrahydroxy-14,17α:14,27-diepoxy-16β,24-cyclo-13,14-seco-5α-ergosta-2-ene-18,26-dioic acid 18,20:26,22-dilactone molecular structure lightbox
CAS RN: 70241-09-7

(13S,14R,22R,25S)-1,15-Dioxo-5-chloro-6β,13,20,22-tetrahydroxy-14,17α:14,27-diepoxy-16β,24-cyclo-13,14-seco-5α-ergosta-2-ene-18,26-dioic acid 18,20:26,22-dilactone

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260110 2mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS70241-09-7
  • Purity/Analytical Methods: >99.0%
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70241-09-7 / 14-chloro-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ene-4,10,22,29-tetrone

Standard CAS: 70241-09-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
70241-09-7
Multi CAS
Yes
Molecular Formula
C28H31CLO10
Molecular Weight
563.000000
Exact Mass
562.160575
InChI
InChI=1S/C28H31ClO10/c1-22-10-17-24(3)28-18(22)19(32)27(39-28,36-11-14(22)20(33)37-17)13-9-16(31)25(29)7-4-5-15(30)23(25,2)12(13)6-8-26(28,35)21(34)38-24/h4-5,12-14,16-18,31,35H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18+,22+,23-,24-,25-,26+,27+,28-/m0/s1
InChIKey
YNEPXUIPALKHAU-URURCIEQSA-N

Physical Properties

Melting Point
238 - 240 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
39
Fraction Csp3
0.79
H-bond acceptors
10
H-bond donors
2
Molar refractivity
128.83
TPSA
145.66

LogP / Solubility

WLOGP
0.97
MLOGP
0.9
XLogP3
0.4
Consensus LogP
0.76
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
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)
-5.47

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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