BAS 00462522
TL;DR: BAS 00462522 (CAS 317376-22-0) is a chemical compound with molecular formula C30H29BrN2O6S2 and molecular weight 656.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[[5-bromo-2-[(4-methylphenyl)sulfonylamino]phenyl]-phenylmethyl]-(4-methylphenyl)sulfonylamino]acetate
Also Known As: BAS 00462522, F0013-1152, METHYL 2-(N-{[5-BROMO-2-(4-METHYLBENZENESULFONAMIDO)PHENYL](PHENYL)METHYL}4-METHYLBENZENESULFONAMIDO)ACETATE, methyl N-[(5-bromo-2-{[(4-methylphenyl)sulfonyl]amino}phenyl)(phenyl)methyl]-N-[(4-methylphenyl)sulfonyl]glycinate, methyl ({[5-bromo-2-(tosylamino)phenyl]phenylmethyl}-N-tosylamino)acetate
| Molecular Formula | C30H29BrN2O6S2 |
|---|---|
| Molecular Weight | 656.07 g/mol |
| LogP | 5.82004 |
| Topological Polar Surface Area | 109.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 656.06506 |
| Heavy Atoms | 41 |
| Complexity | 1743.4335 |
Chemical Identifiers
| CAS Number | 317376-22-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Br)C(C3=CC=CC=C3)N(CC(=O)OC)S(=O)(=O)C4=CC=C(C=C4)C |
Product Overview
BAS 00462522 (CAS 317376-22-0), with molecular formula C30H29BrN2O6S2 and molecular weight 656.07 g/mol. IUPAC: methyl 2-[[[5-bromo-2-[(4-methylphenyl)sulfonylamino]phenyl]-phenylmethyl]-(4-methylphenyl)sulfonylamino]acetate.
Chemical Property Profile of BAS 00462522
Property Insights of BAS 00462522
The XLogP value of 5.82004 indicates that BAS 00462522 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.85 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00462522. Following Lipinski's Rule of Five, BAS 00462522 has 1 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 00462522?
The CAS number of BAS 00462522 is 317376-22-0.
What is the molecular formula of BAS 00462522?
The molecular formula of BAS 00462522 is C30H29BrN2O6S2.
What is the molecular weight of BAS 00462522?
The molecular weight of BAS 00462522 is 656.07 g/mol.
Where can I buy BAS 00462522?
You can request a quote for BAS 00462522 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00462522?
Yes, KEHONG BIO provides custom synthesis services for BAS 00462522 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.