[email protected]
CAS 88082-60-4 Cinnamtannin B-1 molecular structure lightbox
CAS RN: 88082-60-4

Cinnamtannin B-1

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251212 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS88082-60-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

88082-60-4 / (1R,5R,6R,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol

Standard CAS: 88082-60-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88082-60-4
Multi CAS
Yes
Molecular Formula
C45H36O18
Molecular Weight
864.800000
Exact Mass
864.190164
InChI
InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41-,44-,45+/m1/s1
InChIKey
BYSRPHRKESMCPO-LQNPQWRQSA-N

Computed Properties

Structural Parameters

Heavy atom count
63
Aromatic heavy atom count
36
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
18
H-bond donors
14
Molar refractivity
212.05
TPSA
320.14

LogP / Solubility

WLOGP
4.24
MLOGP
3.81
XLogP3
3.3
Consensus LogP
3.78
Log S (ESOL)
-8.03
Class (ESOL)
Insoluble
Log S (Ali)
-9.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.28
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)
-4.98

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

Customers Also Viewed

Get In Touch

Contact Us