BAS 00462534
TL;DR: BAS 00462534 (CAS 332409-92-4) is a chemical compound with molecular formula C26H26BrN3O5 and molecular weight 539.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[[5-bromo-2-[3-(phenylmethoxycarbonylamino)propanoylamino]phenyl]-phenylmethyl]amino]acetic acid
Also Known As: BAS 00462534, N-{[2-({N-[(benzyloxy)carbonyl]-beta-alanyl}amino)-5-bromophenyl](phenyl)methyl}glycine, 2-(((2-(3-(((benzyloxy)carbonyl)amino)propanamido)-5-bromophenyl)(phenyl)methyl)amino)acetic acid, 2-[[[5-bromo-2-[3-(phenylmethoxycarbonylamino)propanoylamino]phenyl]-phenylmethyl]amino]acetic acid, 2-{[(5-bromo-2-{3-[(phenylmethoxy)carbonylamino]propanoylamino}phenyl)phenylme thyl]amino}acetic acid
| Molecular Formula | C26H26BrN3O5 |
|---|---|
| Molecular Weight | 539.11 g/mol |
| LogP | 4.4677 |
| Topological Polar Surface Area | 116.76 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 539.1056 |
| Heavy Atoms | 35 |
| Complexity | 1142.2389 |
Chemical Identifiers
| CAS Number | 332409-92-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NCCC(=O)NC2=C(C=C(C=C2)Br)C(C3=CC=CC=C3)NCC(=O)O |
Product Overview
BAS 00462534 (CAS 332409-92-4), with molecular formula C26H26BrN3O5 and molecular weight 539.11 g/mol. IUPAC: 2-[[[5-bromo-2-[3-(phenylmethoxycarbonylamino)propanoylamino]phenyl]-phenylmethyl]amino]acetic acid.
Chemical Property Profile of BAS 00462534
Property Insights of BAS 00462534
The XLogP value of 4.4677 indicates that BAS 00462534 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.76 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00462534. Following Lipinski's Rule of Five, BAS 00462534 has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00462534?
The CAS number of BAS 00462534 is 332409-92-4.
What is the molecular formula of BAS 00462534?
The molecular formula of BAS 00462534 is C26H26BrN3O5.
What is the molecular weight of BAS 00462534?
The molecular weight of BAS 00462534 is 539.11 g/mol.
Where can I buy BAS 00462534?
You can request a quote for BAS 00462534 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00462534?
Yes, KEHONG BIO provides custom synthesis services for BAS 00462534 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.