CAS RN: 102036-28-2
protosappanin A
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260328 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260601 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260525 | 1mg | In stock | Shanghai, Shandong, Guangdong | Inquiry |
| Batchno.20250417 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260215 | 25mg | In stock | Shandong | Inquiry |
| Batchno.20260618 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250506 | 5mg | In stock | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS102036-28-2
- Purity/Analytical Methods: >99.0%
102036-28-2 / 5,14,15-trihydroxy-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-10-one
Protosappanin A | Sappanol B | DTXSID10144540
Basic Information
CAS
102036-28-2
Multi CAS
No
Molecular Formula
C15H12O5
Molecular Weight
272.250000
Exact Mass
272.068473
SMILES
C1C(=O)COC2=C(C=CC(=C2)O)C3=CC(=C(C=C31)O)O
InChI
InChI=1S/C15H12O5/c16-9-1-2-11-12-6-14(19)13(18)4-8(12)3-10(17)7-20-15(11)5-9/h1-2,4-6,16,18-19H,3,7H2
InChIKey
MUKYVRVYBBYJSI-UHFFFAOYSA-N
Synonyms
Protosappanin A
Sappanol B
DTXSID10144540
5,14,15-trihydroxy-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-10-one
5,14,15-trihydroxy-8-oxatricyclo(10.4.0.02,7)hexadeca-1(16),2(7),3,5,12,14-hexaen-10-one
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.13
H-bond acceptors
5
H-bond donors
3
Molar refractivity
71.08
TPSA
86.99
LogP / Solubility
WLOGP
1.97
MLOGP
1.75
XLogP3
2
Consensus LogP
1.91
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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