PTP1B-IN-14
TL;DR: PTP1B-IN-14 (CAS 724451-35-8) is a chemical compound with molecular formula C27H19N5O3S4 and molecular weight 589.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-(1,3-dioxoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
Also Known As: PTP1B-IN-14, J3.355.535K, AQ-088/42014071, 2-[[6-(1,3-dioxoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide, 2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}-N-{5-[(3-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
| Molecular Formula | C27H19N5O3S4 |
|---|---|
| Molecular Weight | 589.04 g/mol |
| LogP | 6.27992 |
| Topological Polar Surface Area | 105.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 589.03705 |
| Heavy Atoms | 39 |
| Complexity | 1713.372 |
Chemical Identifiers
| CAS Number | 724451-35-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=NN=C(S2)NC(=O)CSC3=NC4=C(S3)C=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O |
Product Overview
PTP1B-IN-14 (CAS 724451-35-8), with molecular formula C27H19N5O3S4 and molecular weight 589.04 g/mol. IUPAC: 2-[[6-(1,3-dioxoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide.
Chemical Property Profile of PTP1B-IN-14
Property Insights of PTP1B-IN-14
The XLogP value of 6.27992 indicates that PTP1B-IN-14 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.15 Ų falls within the moderate polarity range, balancing permeability and solubility for PTP1B-IN-14. Following Lipinski's Rule of Five, PTP1B-IN-14 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PTP1B-IN-14?
The CAS number of PTP1B-IN-14 is 724451-35-8.
What is the molecular formula of PTP1B-IN-14?
The molecular formula of PTP1B-IN-14 is C27H19N5O3S4.
What is the molecular weight of PTP1B-IN-14?
The molecular weight of PTP1B-IN-14 is 589.04 g/mol.
Where can I buy PTP1B-IN-14?
You can request a quote for PTP1B-IN-14 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PTP1B-IN-14?
Yes, KEHONG BIO provides custom synthesis services for PTP1B-IN-14 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.