CAS RN: 82373-95-3
28-homobrassinolide
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
- Product code: LINH875157
82373-95-3 / (1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
Basic Information
CAS
82373-95-3
Multi CAS
Yes
Molecular Formula
C29H50O6
Molecular Weight
494.700000
Exact Mass
494.360739
InChI
InChI=1S/C29H50O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h15-26,30-33H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25+,26+,28+,29+/m0/s1
InChIKey
HJIKODJJEORHMZ-NNPZUXBVSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Fraction Csp3
0.97
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
4
Molar refractivity
134.14
TPSA
107.22
LogP / Solubility
WLOGP
3.78
MLOGP
3.36
XLogP3
5.2
Consensus LogP
4.11
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.73
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9.5
Customers Also Viewed
-
![CAS 1423810-54-1 2H-Tetrazole, 5-[4-(1H-1,2,4-triazol-1-yl)phenyl]- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2H-Tetrazole, 5-[4-(1H-1,2,4-triazol-1-yl)phenyl]-
- CAS RN: 1423810-54-1
- Product Code: LINH887186
-
1,4-DIHYDRO-2H-THIENO[3,2-D][1,3]OXAZINE-2,4-DIONE
- CAS RN: 78756-28-2
- Product Code: SSC-188073
-
-
4-[4-(4-Formylphenyl)-2,5-dimethylphenyl]benzaldehyde
- CAS RN: 857412-04-5
- Product Code: LINF887089
-
2′-amino-6-bromo-1′,2,2-trimethylspiro[chroman-4,4′-imidazol]-5′(1′H)-one
- CAS RN: 1212010-85-9
- Product Code: LINH927164
-
2′-O-Monosuccinyladenosine 3′:5′-cyclic monophosphate
- CAS RN: 36940-87-1
- Product Code: LINO920416
![CAS 1423810-54-1 2H-Tetrazole, 5-[4-(1H-1,2,4-triazol-1-yl)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1423810-54-1.png)
![CAS 78756-28-2 1,4-DIHYDRO-2H-THIENO[3,2-D][1,3]OXAZINE-2,4-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/78756-28-2.png)
![CAS 857412-04-5 4-[4-(4-Formylphenyl)-2,5-dimethylphenyl]benzaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/857412-04-5.png)
![CAS 1212010-85-9 2′-amino-6-bromo-1′,2,2-trimethylspiro[chroman-4,4′-imidazol]-5′(1′H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1212010-85-9.png)
