BAS 00462531
TL;DR: BAS 00462531 (CAS 312746-86-4) is a chemical compound with molecular formula C28H30BrN3O5 and molecular weight 567.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[[5-bromo-2-[4-(phenylmethoxycarbonylamino)butanoylamino]phenyl]-phenylmethyl]amino]acetate
Also Known As: BAS 00462531, BIM-0005951.P001, F0013-1127, METHYL 2-({[2-(4-{[(BENZYLOXY)CARBONYL]AMINO}BUTANAMIDO)-5-BROMOPHENYL](PHENYL)METHYL}AMINO)ACETATE, methyl 2-(((2-(4-(((benzyloxy)carbonyl)amino)butanamido)-5-bromophenyl)(phenyl)methyl)amino)acetate
| Molecular Formula | C28H30BrN3O5 |
|---|---|
| Molecular Weight | 567.14 g/mol |
| LogP | 4.9462 |
| Topological Polar Surface Area | 105.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 567.1369 |
| Heavy Atoms | 37 |
| Complexity | 1174.9498 |
Chemical Identifiers
| CAS Number | 312746-86-4 |
|---|---|
| SMILES | COC(=O)CNC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)NC(=O)CCCNC(=O)OCC3=CC=CC=C3 |
Product Overview
BAS 00462531 (CAS 312746-86-4), with molecular formula C28H30BrN3O5 and molecular weight 567.14 g/mol. IUPAC: methyl 2-[[[5-bromo-2-[4-(phenylmethoxycarbonylamino)butanoylamino]phenyl]-phenylmethyl]amino]acetate.
Chemical Property Profile of BAS 00462531
Property Insights of BAS 00462531
The XLogP value of 4.9462 indicates that BAS 00462531 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.76 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00462531. Following Lipinski's Rule of Five, BAS 00462531 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00462531?
The CAS number of BAS 00462531 is 312746-86-4.
What is the molecular formula of BAS 00462531?
The molecular formula of BAS 00462531 is C28H30BrN3O5.
What is the molecular weight of BAS 00462531?
The molecular weight of BAS 00462531 is 567.14 g/mol.
Where can I buy BAS 00462531?
You can request a quote for BAS 00462531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00462531?
Yes, KEHONG BIO provides custom synthesis services for BAS 00462531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.