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CAS 877314-87-9 BoroGly-(+)-Pinanediol-HCl molecular structure lightbox
CAS RN: 877314-87-9

BoroGly-(+)-Pinanediol-HCl

  • Product code: SSC-197991
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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: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 877314-87-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

877314-87-9 / [(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]methanamine;hydrochloride

Standard CAS: 877314-87-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
877314-87-9
Multi CAS
Yes
Molecular Formula
C11H21BCLNO2
Molecular Weight
245.550000
Exact Mass
245.135387
InChI
InChI=1S/C11H20BNO2.ClH/c1-10(2)7-4-8(10)11(3)9(5-7)14-12(6-13)15-11;/h7-9H,4-6,13H2,1-3H3;1H/t7-,8-,9+,11-;/m0./s1
InChIKey
QVHSDFPCIBKPRC-WWFNWRJBSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.41
TPSA
44.48

LogP / Solubility

WLOGP
1.63
MLOGP
1.44
XLogP3
1.63
Consensus LogP
1.57
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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