BAS 02107070
TL;DR: BAS 02107070 (CAS 5131-29-3) is a chemical compound with molecular formula C25H22ClN5O3S and molecular weight 507.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[[5-[(3-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 02107070, methyl 2-{[({5-[(3-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate, Methyl 2-[2-({5-[(3-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate, methyl 2-[[2-[[5-[(3-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C25H22ClN5O3S |
|---|---|
| Molecular Weight | 507.11 g/mol |
| LogP | 5.0502 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 507.1132 |
| Heavy Atoms | 35 |
| Complexity | 1329.6991 |
Chemical Identifiers
| CAS Number | 5131-29-3 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC(=CC=C4)Cl |
Product Overview
BAS 02107070 (CAS 5131-29-3), with molecular formula C25H22ClN5O3S and molecular weight 507.11 g/mol. IUPAC: methyl 2-[[2-[[5-[(3-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 02107070
Property Insights of BAS 02107070
The XLogP value of 5.0502 indicates that BAS 02107070 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02107070. Following Lipinski's Rule of Five, BAS 02107070 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02107070?
The CAS number of BAS 02107070 is 5131-29-3.
What is the molecular formula of BAS 02107070?
The molecular formula of BAS 02107070 is C25H22ClN5O3S.
What is the molecular weight of BAS 02107070?
The molecular weight of BAS 02107070 is 507.11 g/mol.
Where can I buy BAS 02107070?
You can request a quote for BAS 02107070 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02107070?
Yes, KEHONG BIO provides custom synthesis services for BAS 02107070 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.