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CAS 620181-05-7 7-Epi Clindamycin 2-Phosphate molecular structure lightbox
CAS RN: 620181-05-7

7-Epi Clindamycin 2-Phosphate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251115 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS620181-05-7
  • Purity/Analytical Methods: >99.0%
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620181-05-7 / [6-[2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] dihydrogen phosphate

Standard CAS: 620181-05-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
620181-05-7
Multi CAS
Yes
Molecular Formula
C18H34CLN2O8PS
Molecular Weight
505.000000
Exact Mass
504.146202
InChI
InChI=1S/C18H34ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(18(28-15)31-4)29-30(25,26)27/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)/t9-,10-,11+,12-,13-,14+,15-,16-,18-/m1/s1
InChIKey
UFUVLHLTWXBHGZ-AVENPWRCSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.94
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
5
Molar refractivity
117.79
TPSA
148.79

LogP / Solubility

WLOGP
0.51
MLOGP
0.48
XLogP3
-1.2
Consensus LogP
-0.07
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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