pound\-TNB
TL;DR: pound\-TNB (CAS 82534-97-2) is a chemical compound with molecular formula C28H29N3O7S and molecular weight 551.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-[[1-(carboxymethylamino)-3-[(5-hydroxy-5,6-dihydrobenzo[a]anthracen-6-yl)sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: pound\-TNB, N,N,N',N' -Tetra-naphthalenyl-benzidine, Glycine, N-(S-(5,6-dihydro-5-hydroxybenz(a)anthracen-6-yl)-N-L-gamma-glutamyl-L-cysteinyl)-, (5R-trans)-, 2-amino-5-[[1-(carboxymethylamino)-3-[(5-hydroxy-5,6-dihydrobenzo[a]anthracen-6-yl)sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid, 5-({1-[(Carboxymethyl)imino]-1-hydroxy-3-[(5-hydroxy-5,6-dihydrotetraphen-6-yl)sulfanyl]propan-2-yl}imino)-5-hydroxynorvaline
| Molecular Formula | C28H29N3O7S |
|---|---|
| Molecular Weight | 551.17 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 551.1726 |
| Heavy Atoms | 39 |
| Complexity | 904.0 |
Chemical Identifiers
| CAS Number | 82534-97-2 |
|---|---|
| SMILES | C1=CC=C2C=C3C4=CC=CC=C4C(C(C3=CC2=C1)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O |
| InChIKey | VTPDEXKHPZSESI-UHFFFAOYSA-N |
Product Overview
pound\-TNB (CAS 82534-97-2), with molecular formula C28H29N3O7S and molecular weight 551.17 g/mol. IUPAC: 2-amino-5-[[1-(carboxymethylamino)-3-[(5-hydroxy-5,6-dihydrobenzo[a]anthracen-6-yl)sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of pound\-TNB
Property Insights of pound\-TNB
The XLogP value of -0.8 indicates that pound\-TNB is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 204.0 Ų indicates high polarity, suggesting pound\-TNB may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, pound\-TNB has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of pound\-TNB?
The CAS number of pound\-TNB is 82534-97-2.
What is the molecular formula of pound\-TNB?
The molecular formula of pound\-TNB is C28H29N3O7S.
What is the molecular weight of pound\-TNB?
The molecular weight of pound\-TNB is 551.17 g/mol.
Where can I buy pound\-TNB?
You can request a quote for pound\-TNB directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pound\-TNB?
Yes, KEHONG BIO provides custom synthesis services for pound\-TNB and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.