CAS RN: 70797-11-4
Cefpiramide acid
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11 package records7 with current stock3 grade groups
- Product code: starshine_CAS70797-11-4
- Purity/Analytical Methods: >99.0%
70797-11-4 / 7-[[2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Basic Information
CAS
70797-11-4
Multi CAS
Yes
Molecular Formula
C25H24N8O7S2
Molecular Weight
612.600000
Exact Mass
612.120937
InChI
InChI=1S/C25H24N8O7S2/c1-11-7-16(35)15(8-26-11)20(36)27-17(12-3-5-14(34)6-4-12)21(37)28-18-22(38)33-19(24(39)40)13(9-41-23(18)33)10-42-25-29-30-31-32(25)2/h3-8,17-18,23,34H,9-10H2,1-2H3,(H,26,35)(H,27,36)(H,28,37)(H,39,40)/t17-,18-,23-/m1/s1
InChIKey
PWAUCHMQEXVFJR-PMAPCBKXSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
17
Fraction Csp3
0.28
Rotatable bonds
9
H-bond acceptors
12
H-bond donors
5
Molar refractivity
149.32
TPSA
212.5
LogP / Solubility
WLOGP
-0.09
MLOGP
-0.03
XLogP3
-0.1
Consensus LogP
-0.07
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
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)
-6.52
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5
![CAS 70799-12-1 4-[(DIMETHYLAMINO)METHYL]PHENYLBORONIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/70799-12-1.gif)
