[email protected]
CAS 377085-57-9 1,4-Cyclohexanedimethanol Diisovalerate (cis- and trans- mixture) molecular structure lightbox
CAS RN: 377085-57-9

1,4-Cyclohexanedimethanol Diisovalerate (cis- and trans- mixture)

  • Product code: SSC-145152
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 377085-57-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

377085-57-9 / [4-(3-methylbutanoyloxymethyl)cyclohexyl]methyl 3-methylbutanoate

Standard CAS: 377085-57-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
377085-57-9
Multi CAS
Yes
Molecular Formula
C18H32O4
Molecular Weight
312.400000
Exact Mass
312.230060
InChI
InChI=1S/C18H32O4/c1-13(2)9-17(19)21-11-15-5-7-16(8-6-15)12-22-18(20)10-14(3)4/h13-16H,5-12H2,1-4H3
InChIKey
HCMXPRHTVNDCEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.89
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
86.28
TPSA
52.6

LogP / Solubility

WLOGP
3.97
MLOGP
3.51
XLogP3
4.3
Consensus LogP
3.93
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.95
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us