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CAS 61-76-7 (R)-Phenylephrine Hydrochloride molecular structure lightbox
CAS RN: 61-76-7

(R)-Phenylephrine Hydrochloride

  • Product code: SSC-169700
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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: 5g
  • 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 61-76-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

61-76-7 / 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride

Standard CAS: 61-76-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
61-76-7
Multi CAS
Yes
Molecular Formula
C9H14CLNO2
Molecular Weight
203.660000
Exact Mass
203.071306
InChI
InChI=1S/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,9-12H,6H2,1H3;1H/t9-;/m0./s1
InChIKey
OCYSGIYOVXAGKQ-FVGYRXGTSA-N

Physical Properties

Melting Point
284 to 293 °F (NTP, 1992)
Physical Description
Phenylephrine hydrochloride is an odorless white microcrystalline powder. Bitter taste. pH (1% aqueous solution) about 5. (NTP, 1992)
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
54.24
TPSA
52.49

LogP / Solubility

WLOGP
1.07
MLOGP
0.94
XLogP3
1.07
Consensus LogP
1.03
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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