CAS RN: 96574-01-5

Salvianolic acid A

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8 package records8 with current stock1 grade group
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Batchno.20260425 100mg In stock Shanghai Inquiry
Batchno.20260407 10mg In stock Shanghai Inquiry
Batchno.20250619 1g In stock Shanghai, Tianjin Inquiry
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Batchno.20250420 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20251204 50mg In stock Shanghai, Tianjin Inquiry
Batchno.20250105 5g In stock Shanghai Inquiry
  • Product code: LINS817422
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96574-01-5 / (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxypropanoic acid

Standard CAS: 96574-01-5 Multi CAS: Yes

Basic Information

CAS
96574-01-5
Multi CAS
Yes
Molecular Formula
C26H22O10
Molecular Weight
494.400000
Exact Mass
494.121297
InChI
InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1
InChIKey
YMGFTDKNIWPMGF-UCPJVGPRSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.08
Rotatable bonds
8
H-bond acceptors
9
H-bond donors
7
Molar refractivity
128.5
TPSA
184.98

LogP / Solubility

WLOGP
3.34
MLOGP
2.98
XLogP3
3.9
Consensus LogP
3.41
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.61
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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