V3GPG5BET6
TL;DR: V3GPG5BET6 (CAS 70460-24-1) is a chemical compound with molecular formula C28H22N4O2S5 and molecular weight 606.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-[4-(1,3-benzothiazol-2-ylsulfanylmethylamino)phenyl]sulfonylaniline
Also Known As: N-((1,3-Benzothiazol-2-ylthio)methyl)-N-(4-((4-(((1,3-benzothiazol-2-ylthio)methyl)amino)phenyl)sulfonyl)phenyl)amine, N-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-[4-(1,3-benzothiazol-2-ylsulfanylmethylamino)phenyl]sulfonylaniline, N-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-[4-(1,3-benzothiaz, 4,4'-Sulfonylbis(N-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}aniline), 4,8-Dioxa-3,9-disilaundecan-6-amine,2,2,3,3,9,9,10,10-octamethyl
| Molecular Formula | C28H22N4O2S5 |
|---|---|
| Molecular Weight | 606.03 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 606.0346 |
| Heavy Atoms | 39 |
| Complexity | 812.0 |
Chemical Identifiers
| CAS Number | 70460-24-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCNC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)NCSC5=NC6=CC=CC=C6S5 |
| InChIKey | AATWFVPUDNISEP-UHFFFAOYSA-N |
Product Overview
V3GPG5BET6 (CAS 70460-24-1), with molecular formula C28H22N4O2S5 and molecular weight 606.03 g/mol. IUPAC: N-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-[4-(1,3-benzothiazol-2-ylsulfanylmethylamino)phenyl]sulfonylaniline.
Chemical Property Profile of V3GPG5BET6
Property Insights of V3GPG5BET6
The XLogP value of 8.9 indicates that V3GPG5BET6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 199.0 Ų indicates high polarity, suggesting V3GPG5BET6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, V3GPG5BET6 has 2 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 V3GPG5BET6?
The CAS number of V3GPG5BET6 is 70460-24-1.
What is the molecular formula of V3GPG5BET6?
The molecular formula of V3GPG5BET6 is C28H22N4O2S5.
What is the molecular weight of V3GPG5BET6?
The molecular weight of V3GPG5BET6 is 606.03 g/mol.
Where can I buy V3GPG5BET6?
You can request a quote for V3GPG5BET6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for V3GPG5BET6?
Yes, KEHONG BIO provides custom synthesis services for V3GPG5BET6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.