A2971/0125200
TL;DR: A2971/0125200 (CAS 519146-36-2) is a chemical compound with molecular formula C26H22FN3O5S and molecular weight 507.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: A2971/0125200, 4-[({(2Z)-3-(4-fluorobenzyl)-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid, (Z)-4-(3-(4-fluorobenzyl)-2-((4-methoxyphenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid, 4-({3-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)azamethylene]-4-oxo-1,3-thi azaperhydroin-6-yl}carbonylamino)benzoic acid, 4-[(2Z)-3-[(4-FLUOROPHENYL)METHYL]-2-[(4-METHOXYPHENYL)IMINO]-4-OXO-1,3-THIAZINANE-6-AMIDO]BENZOIC ACID
| Molecular Formula | C26H22FN3O5S |
|---|---|
| Molecular Weight | 507.13 g/mol |
| LogP | 4.693 |
| Topological Polar Surface Area | 108.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 507.12643 |
| Heavy Atoms | 36 |
| Complexity | 1294.6648 |
Chemical Identifiers
| CAS Number | 519146-36-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=C(C=C3)C(=O)O)CC4=CC=C(C=C4)F |
Product Overview
A2971/0125200 (CAS 519146-36-2), with molecular formula C26H22FN3O5S and molecular weight 507.13 g/mol. IUPAC: 4-[[3-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of A2971/0125200
Property Insights of A2971/0125200
The XLogP value of 4.693 indicates that A2971/0125200 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.3 Ų falls within the moderate polarity range, balancing permeability and solubility for A2971/0125200. Following Lipinski's Rule of Five, A2971/0125200 has 2 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 A2971/0125200?
The CAS number of A2971/0125200 is 519146-36-2.
What is the molecular formula of A2971/0125200?
The molecular formula of A2971/0125200 is C26H22FN3O5S.
What is the molecular weight of A2971/0125200?
The molecular weight of A2971/0125200 is 507.13 g/mol.
Where can I buy A2971/0125200?
You can request a quote for A2971/0125200 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2971/0125200?
Yes, KEHONG BIO provides custom synthesis services for A2971/0125200 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.