BHAAP
TL;DR: BHAAP (CAS 876-90-4) is a chemical compound with molecular formula C27H42N4O7 and molecular weight 534.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2S,4S)-2-[(2-amino-2-methylpropanoyl)-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpropanoyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
Also Known As: BHAAP, Boc-hyp-aib-aib-phol, t-Butyloxycarbonyl-hydroxypro-aib-aib-phe-ol, tert-Butyloxycarbonyl-hydroxyprolyl-alpha-aminoisobutyryl-alpha-aminoisobutyryl-phenylalaninol, tert-butyl (2S,4S)-2-[(2-amino-2-methylpropanoyl)-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpropanoyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
| Molecular Formula | C27H42N4O7 |
|---|---|
| Molecular Weight | 534.31 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 534.30536 |
| Heavy Atoms | 38 |
| Complexity | 877.0 |
Chemical Identifiers
| CAS Number | 876-90-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N(C(=O)C(C)(C)N)C(=O)C(C)(C)NC(CC2=CC=CC=C2)CO)O |
| InChIKey | SBGGQJWDJBOKAS-YPJRHXLCSA-N |
Product Overview
BHAAP (CAS 876-90-4), with molecular formula C27H42N4O7 and molecular weight 534.31 g/mol. IUPAC: tert-butyl (2S,4S)-2-[(2-amino-2-methylpropanoyl)-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpropanoyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate.
Chemical Property Profile of BHAAP
Property Insights of BHAAP
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BHAAP. The TPSA of 163.0 Ų indicates high polarity, suggesting BHAAP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BHAAP has 4 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 BHAAP?
The CAS number of BHAAP is 876-90-4.
What is the molecular formula of BHAAP?
The molecular formula of BHAAP is C27H42N4O7.
What is the molecular weight of BHAAP?
The molecular weight of BHAAP is 534.31 g/mol.
Where can I buy BHAAP?
You can request a quote for BHAAP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BHAAP?
Yes, KEHONG BIO provides custom synthesis services for BHAAP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.