BAS 00462530
TL;DR: BAS 00462530 (CAS 304880-18-0) is a chemical compound with molecular formula C27H28ClN3O5 and molecular weight 509.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[[5-chloro-2-[3-(phenylmethoxycarbonylamino)propanoylamino]phenyl]-phenylmethyl]amino]acetate
Also Known As: BAS 00462530, methyl {[{2-[(3-{[(benzyloxy)carbonyl]amino}propanoyl)amino]-5-chlorophenyl}(phenyl)methyl]amino}acetate, methyl 2-(((2-(3-(((benzyloxy)carbonyl)amino)propanamido)-5-chlorophenyl)(phenyl)methyl)amino)acetate, methyl 2-[[[5-chloro-2-[3-(phenylmethoxycarbonylamino)propanoylamino]phenyl]-phenylmethyl]amino]acetate, methyl N-{[2-({N-[(benzyloxy)carbonyl]-beta-alanyl}amino)-5-chlorophenyl](phenyl)methyl}glycinate
| Molecular Formula | C27H28ClN3O5 |
|---|---|
| Molecular Weight | 509.17 g/mol |
| LogP | 4.447 |
| Topological Polar Surface Area | 105.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 509.17175 |
| Heavy Atoms | 36 |
| Complexity | 1158.5854 |
Chemical Identifiers
| CAS Number | 304880-18-0 |
|---|---|
| SMILES | COC(=O)CNC(C1=CC=CC=C1)C2=C(C=CC(=C2)Cl)NC(=O)CCNC(=O)OCC3=CC=CC=C3 |
Product Overview
BAS 00462530 (CAS 304880-18-0), with molecular formula C27H28ClN3O5 and molecular weight 509.17 g/mol. IUPAC: methyl 2-[[[5-chloro-2-[3-(phenylmethoxycarbonylamino)propanoylamino]phenyl]-phenylmethyl]amino]acetate.
Chemical Property Profile of BAS 00462530
Property Insights of BAS 00462530
The XLogP value of 4.447 indicates that BAS 00462530 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 00462530. Following Lipinski's Rule of Five, BAS 00462530 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 00462530?
The CAS number of BAS 00462530 is 304880-18-0.
What is the molecular formula of BAS 00462530?
The molecular formula of BAS 00462530 is C27H28ClN3O5.
What is the molecular weight of BAS 00462530?
The molecular weight of BAS 00462530 is 509.17 g/mol.
Where can I buy BAS 00462530?
You can request a quote for BAS 00462530 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00462530?
Yes, KEHONG BIO provides custom synthesis services for BAS 00462530 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.