Ascb-lys-ala-val
TL;DR: Ascb-lys-ala-val (CAS 97143-05-0) is a chemical compound with molecular formula C32H46N4O8S and molecular weight 646.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-(1-adamantylsulfonylamino)-6-[[1-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-6-oxohexyl]carbamoyl]benzoic acid
Also Known As: Ascb-lys-ala-val, Ro 31-3537, Ro-31-3537, N(alpha)-(1-Adamantanesulfonyl)-N(epsilon)-(4-carboxybenzoyl)lysyl-alanyl-valinal, 4-[[5-(1-adamantylsulfonylamino)-6-[[1-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-6-oxohexyl]carbamoyl]benzoic acid
| Molecular Formula | C32H46N4O8S |
|---|---|
| Molecular Weight | 646.30 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 646.30365 |
| Heavy Atoms | 45 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 97143-05-0 |
|---|---|
| SMILES | CC(C)C(C=O)NC(=O)C(C)NC(=O)C(CCCCNC(=O)C1=CC=C(C=C1)C(=O)O)NS(=O)(=O)C23CC4CC(C2)CC(C4)C3 |
| InChIKey | HHBPTDLSSJJCKV-UHFFFAOYSA-N |
Product Overview
Ascb-lys-ala-val (CAS 97143-05-0), with molecular formula C32H46N4O8S and molecular weight 646.30 g/mol. IUPAC: 4-[[5-(1-adamantylsulfonylamino)-6-[[1-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-6-oxohexyl]carbamoyl]benzoic acid.
Chemical Property Profile of Ascb-lys-ala-val
Property Insights of Ascb-lys-ala-val
The XLogP value of 3.6 indicates that Ascb-lys-ala-val is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 196.0 Ų indicates high polarity, suggesting Ascb-lys-ala-val may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ascb-lys-ala-val has 5 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 Ascb-lys-ala-val?
The CAS number of Ascb-lys-ala-val is 97143-05-0.
What is the molecular formula of Ascb-lys-ala-val?
The molecular formula of Ascb-lys-ala-val is C32H46N4O8S.
What is the molecular weight of Ascb-lys-ala-val?
The molecular weight of Ascb-lys-ala-val is 646.30 g/mol.
Where can I buy Ascb-lys-ala-val?
You can request a quote for Ascb-lys-ala-val directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ascb-lys-ala-val?
Yes, KEHONG BIO provides custom synthesis services for Ascb-lys-ala-val and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.