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CAS 5424-20-4 TANNIC ACID molecular structure lightbox
CAS RN: 5424-20-4

TANNIC ACID

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260107 100g In stock Shenzhen Inquiry
Batchno.20250306 10g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250101 1kg Out of stock Inquiry
Batchno.20260124 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260319 500g In stock Shanghai Inquiry
  • Product code: starshine_CAS5424-20-4
  • Purity/Analytical Methods: >99.0%
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5424-20-4 / [2,3-dihydroxy-5-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy]oxan-2-yl]methoxycarbonyl]phenyl] 3,4,5-trihydroxybenzoate

Standard CAS: 5424-20-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5424-20-4
Multi CAS
Yes
Molecular Formula
C76H52O46
Molecular Weight
1701.200000
Exact Mass
1700.172974
InChI
InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1
InChIKey
LRBQNJMCXXYXIU-PPKXGCFTSA-N

Physical Properties

Melting Point
200 °C
Density
greater than 1 at 68 °F (USCG, 1999)
Physical Description
Tannic acid is a light yellow to tan solid with a faint odor. Sinks and mixes with water. (USCG, 1999) Yellowish to light brown solid; [HSDB]
Appearance
YELLOWISH-WHITE TO LIGHT BROWN, AMORPHOUS, BULKY POWDER OR FLAKES, OR SPONGY MASSES PALE YELLOWISH-BROWN
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
122
Aromatic heavy atom count
60
Fraction Csp3
0.08
Rotatable bonds
21
H-bond acceptors
46
H-bond donors
25
Molar refractivity
382.8
TPSA
777.98

LogP / Solubility

WLOGP
4.84
MLOGP
4.44
XLogP3
6.2
Consensus LogP
5.16
Log S (ESOL)
-12.41
Class (ESOL)
Insoluble
Log S (Ali)
-17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.25
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-9.66

Drug-likeness / Medicinal Chemistry

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

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