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CAS 61257-02-1 mycaminosyltylonolide molecular structure lightbox
CAS RN: 61257-02-1

mycaminosyltylonolide

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260325 5mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS61257-02-1
  • Purity/Analytical Methods: >99.0%
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61257-02-1 / 2-[(4R,5S,6S,7R,9R,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde

Standard CAS: 61257-02-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61257-02-1
Multi CAS
Yes
Molecular Formula
C31H51NO10
Molecular Weight
597.700000
Exact Mass
597.351297
InChI
InChI=1S/C31H51NO10/c1-8-25-22(16-34)13-17(2)9-10-23(35)18(3)14-21(11-12-33)30(19(4)24(36)15-26(37)41-25)42-31-29(39)27(32(6)7)28(38)20(5)40-31/h9-10,12-13,18-22,24-25,27-31,34,36,38-39H,8,11,14-16H2,1-7H3/b10-9+,17-13+/t18-,19+,20-,21+,22-,24-,25-,27+,28-,29-,30-,31+/m1/s1
InChIKey
WGUJDBLMJBJUQU-VKRLOHBMSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Fraction Csp3
0.77
Rotatable bonds
7
H-bond acceptors
11
H-bond donors
4
Molar refractivity
155.09
TPSA
163.06

LogP / Solubility

WLOGP
1.4
MLOGP
1.28
XLogP3
0.9
Consensus LogP
1.19
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble

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)
-5.37

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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