CAS RN: 103729-38-0
(+)-Yashabushidiol B
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250331 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS103729-38-0
- Purity/Analytical Methods: >99.0%
103729-38-0 / (3R,5R)-1,7-diphenylheptane-3,5-diol
(3R,5R)-1,7-diphenylheptane-3,5-diol | RefChem:69309 | (+)-Yashabushidiol B
Basic Information
CAS
103729-38-0
Multi CAS
No
Molecular Formula
C19H24O2
Molecular Weight
284.400000
Exact Mass
284.177630
SMILES
C1=CC=C(C=C1)CC[C@H](C[C@@H](CCC2=CC=CC=C2)O)O
InChI
InChI=1S/C19H24O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-10,18-21H,11-15H2/t18-,19-/m1/s1
InChIKey
QSUSPILNZCEGPK-RTBURBONSA-N
Synonyms
(3R,5R)-1,7-diphenylheptane-3,5-diol
RefChem:69309
(+)-Yashabushidiol B
CHEMBL596161
orb1680377
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
2
Molar refractivity
86.16
TPSA
40.46
LogP / Solubility
WLOGP
3.36
MLOGP
2.97
XLogP3
4
Consensus LogP
3.44
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
-
H-D-TIC-OTBU HCL
- CAS RN: 103733-29-5
- Product Code: starshine_CAS103733-29-5
- Purity/Analytical method: >99.0%
-
L-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE
- CAS RN: 103733-33-1
- Product Code: SSC-005343
-
QUINAPRIL RELATED COMPOUND A (50 MG) (ETHYL[3S-[2(R*),3A,11A BETA]]-1,3,4,6,11,11A-HEXAHYDRO-3-METHYL-1,4-DIOXO-ALPHA-(2-PHENY-LETHYL)-2H-PYRAZINO[1,2-B]ISOQUINOLINE-2-ACETATE)
- CAS RN: 103733-49-9
- Product Code: starshine_CAS103733-49-9
- Purity/Analytical method: >99.0%
-
D-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
- CAS RN: 103733-65-9
- Product Code: SSC-005344
-
(S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid hydrochloride
- CAS RN: 103733-66-0
- Product Code: starshine_CAS103733-66-0
- Purity/Analytical method: >99.0%
![CAS 103733-49-9 QUINAPRIL RELATED COMPOUND A (50 MG) (ETHYL[3S-[2(R*),3A,11A BETA]]-1,3,4,6,11,11A-HEXAHYDRO-3-METHYL-1,4-DIOXO-ALPHA-(2-PHENY-LETHYL)-2H-PYRAZINO[1,2-B]ISOQUINOLINE-2-ACETATE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/103733-49-9.gif)
