AB00753827-01
TL;DR: AB00753827-01 (CAS 956443-73-5) is a chemical compound with molecular formula C16H23NO3S and molecular weight 309.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-3-methyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)pentanoic acid
Also Known As: AB00753827-01, (2S,3S)-2-{4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-ylformamido}-3-methylpentanoic acid, (2S)-3-methyl-2-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-ylcarbonyl)amino]pentanoic acid, (2S,3S)-2-({4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}formamido)-3-methylpentanoic acid, (2S,3S)-3-Methyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)pentanoic acid
| Molecular Formula | C16H23NO3S |
|---|---|
| Molecular Weight | 309.14 g/mol |
| LogP | 3.2461 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.13986 |
| Heavy Atoms | 21 |
| Complexity | 500.0918 |
Chemical Identifiers
| CAS Number | 956443-73-5 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)O)NC(=O)C1=CC2=C(S1)CCCCC2 |
Product Overview
AB00753827-01 (CAS 956443-73-5), with molecular formula C16H23NO3S and molecular weight 309.14 g/mol. IUPAC: (2S,3S)-3-methyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)pentanoic acid.
Chemical Property Profile of AB00753827-01
Property Insights of AB00753827-01
The XLogP value of 3.2461 indicates that AB00753827-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00753827-01. Following Lipinski's Rule of Five, AB00753827-01 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00753827-01?
The CAS number of AB00753827-01 is 956443-73-5.
What is the molecular formula of AB00753827-01?
The molecular formula of AB00753827-01 is C16H23NO3S.
What is the molecular weight of AB00753827-01?
The molecular weight of AB00753827-01 is 309.14 g/mol.
Where can I buy AB00753827-01?
You can request a quote for AB00753827-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00753827-01?
Yes, KEHONG BIO provides custom synthesis services for AB00753827-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.