AB01312177-01
TL;DR: AB01312177-01 (CAS 549517-16-0) is a chemical compound with molecular formula C24H20N2O4S and molecular weight 432.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-cyano-3-methyl-5-(9H-xanthene-9-carbonylamino)thiophene-2-carboxylate
Also Known As: AB01312177-01, Propan-2-yl 4-cyano-3-methyl-5-(9H-xanthene-9-carbonylamino)thiophene-2-carboxylate, isopropyl 4-cyano-3-methyl-5-[(9H-xanthen-9-ylcarbonyl)amino]-2-thiophenecarboxylate, methylethyl 4-cyano-3-methyl-5-(xanthen-9-ylcarbonylamino)thiophene-2-carboxyl ate, PROPAN-2-YL 4-CYANO-3-METHYL-5-(9H-XANTHENE-9-AMIDO)THIOPHENE-2-CARBOXYLATE
| Molecular Formula | C24H20N2O4S |
|---|---|
| Molecular Weight | 432.11 g/mol |
| LogP | 5.3697 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.11438 |
| Heavy Atoms | 31 |
| Complexity | 1177.0575 |
Chemical Identifiers
| CAS Number | 549517-16-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C(=O)OC(C)C |
Product Overview
AB01312177-01 (CAS 549517-16-0), with molecular formula C24H20N2O4S and molecular weight 432.11 g/mol. IUPAC: propan-2-yl 4-cyano-3-methyl-5-(9H-xanthene-9-carbonylamino)thiophene-2-carboxylate.
Chemical Property Profile of AB01312177-01
Property Insights of AB01312177-01
The XLogP value of 5.3697 indicates that AB01312177-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01312177-01. Following Lipinski's Rule of Five, AB01312177-01 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 AB01312177-01?
The CAS number of AB01312177-01 is 549517-16-0.
What is the molecular formula of AB01312177-01?
The molecular formula of AB01312177-01 is C24H20N2O4S.
What is the molecular weight of AB01312177-01?
The molecular weight of AB01312177-01 is 432.11 g/mol.
Where can I buy AB01312177-01?
You can request a quote for AB01312177-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01312177-01?
Yes, KEHONG BIO provides custom synthesis services for AB01312177-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.